[1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol

C12H19N3O — CID 43133087

IUPAC[1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol
SMILESNCc1ccc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C12H19N3O/c13-7-11-1-2-12(14-8-11)15-5-3-10(9-16)4-6-15/h1-2,8,10,16H,3-7,9,13H2
InChIKeyGUABVDOVRIITCB-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.75
Rot. Bonds3

About [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol

[1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol (PubChem CID 43133087) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol
PubChem CID43133087
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol
SMILESNCc1ccc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C12H19N3O/c13-7-11-1-2-12(14-8-11)15-5-3-10(9-16)4-6-15/h1-2,8,10,16H,3-7,9,13H2
InChIKeyGUABVDOVRIITCB-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol (CID 43133087) is [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol is NCc1ccc(N2CCC(CO)CC2)nc1.
What is the InChIKey of [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is GUABVDOVRIITCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-7-11-1-2-12(14-8-11)15-5-3-10(9-16)4-6-15/h1-2,8,10,16H,3-7,9,13H2.
What are the key properties of [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol?
[1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(aminomethyl)-2-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 43133087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).