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

C13H21N3O — CID 63887461

IUPAC[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
SMILESNCc1cc(CN2CCCC(CO)C2)ccn1
InChIInChI=1S/C13H21N3O/c14-7-13-6-11(3-4-15-13)8-16-5-1-2-12(9-16)10-17/h3-4,6,12,17H,1-2,5,7-10,14H2
InChIKeyBCYHURWTDJDYRV-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.74
Rot. Bonds4

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

[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol (PubChem CID 63887461) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
PubChem CID63887461
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
SMILESNCc1cc(CN2CCCC(CO)C2)ccn1
InChIInChI=1S/C13H21N3O/c14-7-13-6-11(3-4-15-13)8-16-5-1-2-12(9-16)10-17/h3-4,6,12,17H,1-2,5,7-10,14H2
InChIKeyBCYHURWTDJDYRV-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 63889418
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 97169730
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
[(3S)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 97169637
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol (CID 63887461) is [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol is NCc1cc(CN2CCCC(CO)C2)ccn1.
What is the InChIKey of [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol?
The InChIKey is BCYHURWTDJDYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-7-13-6-11(3-4-15-13)8-16-5-1-2-12(9-16)10-17/h3-4,6,12,17H,1-2,5,7-10,14H2.
What are the key properties of [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol?
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 63887461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).