6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

C18H19ClN4 — CID 119110752

IUPAC6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCc3ccccc3Cl)CC2)nc1
InChIInChI=1S/C18H19ClN4/c19-17-4-2-1-3-15(17)13-21-16-7-9-23(10-8-16)18-6-5-14(11-20)12-22-18/h1-6,12,16,21H,7-10,13H2
InChIKeyYOQUCJIFCAIAPR-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.37
Rot. Bonds4

About 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 119110752) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID119110752
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCc3ccccc3Cl)CC2)nc1
InChIInChI=1S/C18H19ClN4/c19-17-4-2-1-3-15(17)13-21-16-7-9-23(10-8-16)18-6-5-14(11-20)12-22-18/h1-6,12,16,21H,7-10,13H2
InChIKeyYOQUCJIFCAIAPR-UHFFFAOYSA-N
XLogP3.37
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110757
6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110743
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72920107
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119122036
6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72920155
6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 72903650
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46434350

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 119110752) is 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(NCc3ccccc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YOQUCJIFCAIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-17-4-2-1-3-15(17)13-21-16-7-9-23(10-8-16)18-6-5-14(11-20)12-22-18/h1-6,12,16,21H,7-10,13H2.
What are the key properties of 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 326.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 119110752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).