2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol

C13H21N3O — CID 107167021

IUPAC2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
SMILESNc1cc(CN2CCCC(CCO)C2)ccn1
InChIInChI=1S/C13H21N3O/c14-13-8-12(3-5-15-13)10-16-6-1-2-11(9-16)4-7-17/h3,5,8,11,17H,1-2,4,6-7,9-10H2,(H2,14,15)
InChIKeyWLNAKEHRZOVTHS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.26
Rot. Bonds4

About 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol

2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol (PubChem CID 107167021) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
PubChem CID107167021
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
SMILESNc1cc(CN2CCCC(CCO)C2)ccn1
InChIInChI=1S/C13H21N3O/c14-13-8-12(3-5-15-13)10-16-6-1-2-11(9-16)4-7-17/h3,5,8,11,17H,1-2,4,6-7,9-10H2,(H2,14,15)
InChIKeyWLNAKEHRZOVTHS-UHFFFAOYSA-N
XLogP1.26
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 114799922
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol (CID 107167021) is 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol is Nc1cc(CN2CCCC(CCO)C2)ccn1.
What is the InChIKey of 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol?
The InChIKey is WLNAKEHRZOVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-13-8-12(3-5-15-13)10-16-6-1-2-11(9-16)4-7-17/h3,5,8,11,17H,1-2,4,6-7,9-10H2,(H2,14,15).
What are the key properties of 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol?
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107167021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).