1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol

C12H19N3O — CID 62888575

IUPAC1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
SMILESNCc1ncccc1CN1CCC(O)CC1
InChIInChI=1S/C12H19N3O/c13-8-12-10(2-1-5-14-12)9-15-6-3-11(16)4-7-15/h1-2,5,11,16H,3-4,6-9,13H2
InChIKeyHHQVHGTZFAOAHP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.50
Rot. Bonds3

About 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol

1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol (PubChem CID 62888575) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
PubChem CID62888575
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
SMILESNCc1ncccc1CN1CCC(O)CC1
InChIInChI=1S/C12H19N3O/c13-8-12-10(2-1-5-14-12)9-15-6-3-11(16)4-7-15/h1-2,5,11,16H,3-4,6-9,13H2
InChIKeyHHQVHGTZFAOAHP-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895524
1-[1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62893815
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 102956575
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55133508
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 64779552
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine
CID 63189237

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol (CID 62888575) is 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol is NCc1ncccc1CN1CCC(O)CC1.
What is the InChIKey of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol?
The InChIKey is HHQVHGTZFAOAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-12-10(2-1-5-14-12)9-15-6-3-11(16)4-7-15/h1-2,5,11,16H,3-4,6-9,13H2.
What are the key properties of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol?
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol has a molecular weight of 221.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol is sourced from PubChem (CID 62888575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).