[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine

C13H21N3 — CID 81312464

IUPAC[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
SMILESCc1ccc(CN2CCC(CN)CC2)nc1
InChIInChI=1S/C13H21N3/c1-11-2-3-13(15-9-11)10-16-6-4-12(8-14)5-7-16/h2-3,9,12H,4-8,10,14H2,1H3
InChIKeyGZQQROMCAZLSQX-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.56
Rot. Bonds3

About [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine

[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine (PubChem CID 81312464) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
PubChem CID81312464
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
SMILESCc1ccc(CN2CCC(CN)CC2)nc1
InChIInChI=1S/C13H21N3/c1-11-2-3-13(15-9-11)10-16-6-4-12(8-14)5-7-16/h2-3,9,12H,4-8,10,14H2,1H3
InChIKeyGZQQROMCAZLSQX-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine (CID 81312464) is [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine is Cc1ccc(CN2CCC(CN)CC2)nc1.
What is the InChIKey of [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is GZQQROMCAZLSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-2-3-13(15-9-11)10-16-6-4-12(8-14)5-7-16/h2-3,9,12H,4-8,10,14H2,1H3.
What are the key properties of [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine?
[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 81312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).