2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile

C13H18N4 — CID 103442482

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile
SMILESCC1CCN(c2cc(C#N)ccn2)C(CN)C1
InChIInChI=1S/C13H18N4/c1-10-3-5-17(12(6-10)9-15)13-7-11(8-14)2-4-16-13/h2,4,7,10,12H,3,5-6,9,15H2,1H3
InChIKeyKOGSAWHQALSWKM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.52
Rot. Bonds2

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 103442482) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile
PubChem CID103442482
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile
SMILESCC1CCN(c2cc(C#N)ccn2)C(CN)C1
InChIInChI=1S/C13H18N4/c1-10-3-5-17(12(6-10)9-15)13-7-11(8-14)2-4-16-13/h2,4,7,10,12H,3,5-6,9,15H2,1H3
InChIKeyKOGSAWHQALSWKM-UHFFFAOYSA-N
XLogP1.52
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile (CID 103442482) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile is CC1CCN(c2cc(C#N)ccn2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is KOGSAWHQALSWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-3-5-17(12(6-10)9-15)13-7-11(8-14)2-4-16-13/h2,4,7,10,12H,3,5-6,9,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 103442482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).