4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile

C19H22N4 — CID 165433162

IUPAC4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCc1cccnc1CN1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H22N4/c1-16-3-2-8-21-19(16)15-23-11-9-22(10-12-23)14-18-6-4-17(13-20)5-7-18/h2-8H,9-12,14-15H2,1H3
InChIKeyLAFKUXJNXMJHBF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.58
Rot. Bonds4

About 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile

4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile (PubChem CID 165433162) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
PubChem CID165433162
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCc1cccnc1CN1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H22N4/c1-16-3-2-8-21-19(16)15-23-11-9-22(10-12-23)14-18-6-4-17(13-20)5-7-18/h2-8H,9-12,14-15H2,1H3
InChIKeyLAFKUXJNXMJHBF-UHFFFAOYSA-N
XLogP2.58
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

1-[(3-methyl-2-pyridinyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 165434165
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 51260467
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
4-[[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 166605362
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
4-[[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile
CID 31990851
(5-methoxyfuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70772609
4-[(1,1-dimethyl-1,4-thiazinan-4-yl)methyl]benzonitrile
CID 131976859

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile (CID 165433162) is 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile is Cc1cccnc1CN1CCN(Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile?
The InChIKey is LAFKUXJNXMJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-16-3-2-8-21-19(16)15-23-11-9-22(10-12-23)14-18-6-4-17(13-20)5-7-18/h2-8H,9-12,14-15H2,1H3.
What are the key properties of 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile?
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile has a molecular weight of 306.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 165433162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).