6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

C19H21FN4 — CID 119122036

IUPAC6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)ccc1F
InChIInChI=1S/C19H21FN4/c1-14-10-15(2-4-18(14)20)12-22-17-6-8-24(9-7-17)19-5-3-16(11-21)13-23-19/h2-5,10,13,17,22H,6-9,12H2,1H3
InChIKeyCOHKIFBWBNJNMQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.16
Rot. Bonds4

About 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 119122036) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID119122036
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)ccc1F
InChIInChI=1S/C19H21FN4/c1-14-10-15(2-4-18(14)20)12-22-17-6-8-24(9-7-17)19-5-3-16(11-21)13-23-19/h2-5,10,13,17,22H,6-9,12H2,1H3
InChIKeyCOHKIFBWBNJNMQ-UHFFFAOYSA-N
XLogP3.16
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.16
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-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110752
4-fluoro-3-[[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]methyl]benzonitrile
CID 97186348
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72920107
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
6-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286761
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 119122036) is 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)ccc1F.
What is the InChIKey of 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is COHKIFBWBNJNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-14-10-15(2-4-18(14)20)12-22-17-6-8-24(9-7-17)19-5-3-16(11-21)13-23-19/h2-5,10,13,17,22H,6-9,12H2,1H3.
What are the key properties of 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 324.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 119122036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).