EcoDrugPlus


Keyword(s):	Human Metabolites ; Food Contact Chemicals ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	LR520BAM5V
EPA CompTox	DTXSID3044411

Keyword(s):

Human Metabolites ; Food Contact Chemicals ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

LR520BAM5V

EPA CompTox

DTXSID3044411


InChI Key	NWHNXXMYEICZAT-UHFFFAOYSA-N
Smiles	CN1C(C)(C)CC(O)CC1(C)C
InChI	InChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3

InChI Key

NWHNXXMYEICZAT-UHFFFAOYSA-N

Smiles

CN1C(C)(C)CC(O)CC1(C)C

InChI

InChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3

Property Name	Value
Molecular Formula	C10H21N1O1
Molecular Weight	171.16
AlogP	1.63
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	23.47
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H21N1O1

Molecular Weight

171.16

AlogP

1.63

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

23.47

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	2403-89-6
NORMAN SUSDAT
FDA SRS	LR520BAM5V
PubChem	75472
ChemSpider	68001.0

Resources

Reference

CAS NUMBER

2403-89-6

NORMAN SUSDAT

FDA SRS

LR520BAM5V

PubChem

75472

ChemSpider

68001.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1,2,2,6,6-PENTAMETHYLPIPERIDIN-4-OL

Structure

Physicochemical Descriptors

Cross References