[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol

C12H19N3O — CID 62177163

IUPAC[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
SMILESNc1ccc(CN2CCCC(CO)C2)cn1
InChIInChI=1S/C12H19N3O/c13-12-4-3-10(6-14-12)7-15-5-1-2-11(8-15)9-16/h3-4,6,11,16H,1-2,5,7-9H2,(H2,13,14)
InChIKeyQEASHWZTFWYRCN-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.87
Rot. Bonds3

About [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol

[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol (PubChem CID 62177163) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
PubChem CID62177163
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
SMILESNc1ccc(CN2CCCC(CO)C2)cn1
InChIInChI=1S/C12H19N3O/c13-12-4-3-10(6-14-12)7-15-5-1-2-11(8-15)9-16/h3-4,6,11,16H,1-2,5,7-9H2,(H2,13,14)
InChIKeyQEASHWZTFWYRCN-UHFFFAOYSA-N
XLogP0.87
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 97169637
1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915
[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine
CID 55046361
[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 71650079
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 97165519
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311190
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739

Frequently Asked Questions

What is the IUPAC name of [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol (CID 62177163) is [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol is Nc1ccc(CN2CCCC(CO)C2)cn1.
What is the InChIKey of [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol?
The InChIKey is QEASHWZTFWYRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-12-4-3-10(6-14-12)7-15-5-1-2-11(8-15)9-16/h3-4,6,11,16H,1-2,5,7-9H2,(H2,13,14).
What are the key properties of [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol?
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62177163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).