1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol

C12H19N3O — CID 80630672

IUPAC1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
SMILESCc1cc(CN)cnc1N1CCCC(O)C1
InChIInChI=1S/C12H19N3O/c1-9-5-10(6-13)7-14-12(9)15-4-2-3-11(16)8-15/h5,7,11,16H,2-4,6,8,13H2,1H3
InChIKeyAWZHFOPPTCXJRR-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.81
Rot. Bonds2

About 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol

1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol (PubChem CID 80630672) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
PubChem CID80630672
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
SMILESCc1cc(CN)cnc1N1CCCC(O)C1
InChIInChI=1S/C12H19N3O/c1-9-5-10(6-13)7-14-12(9)15-4-2-3-11(16)8-15/h5,7,11,16H,2-4,6,8,13H2,1H3
InChIKeyAWZHFOPPTCXJRR-UHFFFAOYSA-N
XLogP0.81
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol (CID 80630672) is 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol is Cc1cc(CN)cnc1N1CCCC(O)C1.
What is the InChIKey of 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol?
The InChIKey is AWZHFOPPTCXJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-5-10(6-13)7-14-12(9)15-4-2-3-11(16)8-15/h5,7,11,16H,2-4,6,8,13H2,1H3.
What are the key properties of 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol?
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 80630672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).