2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile

C17H25N3 — CID 171310787

IUPAC2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile
SMILESCC(C)CC[C@H](c1ccccc1C#N)N1CCNCC1
InChIInChI=1S/C17H25N3/c1-14(2)7-8-17(20-11-9-19-10-12-20)16-6-4-3-5-15(16)13-18/h3-6,14,17,19H,7-12H2,1-2H3/t17-/m1/s1
InChIKeyHIJDCDWQJDQUKO-QGZVFWFLSA-N
MW271.41 g/mol
LogP2.94
Rot. Bonds5

About 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile

2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile (PubChem CID 171310787) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile.

Molecular Properties

Compound Name2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile
PubChem CID171310787
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile
SMILESCC(C)CC[C@H](c1ccccc1C#N)N1CCNCC1
InChIInChI=1S/C17H25N3/c1-14(2)7-8-17(20-11-9-19-10-12-20)16-6-4-3-5-15(16)13-18/h3-6,14,17,19H,7-12H2,1-2H3/t17-/m1/s1
InChIKeyHIJDCDWQJDQUKO-QGZVFWFLSA-N
XLogP2.94
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile
CID 171189088
2-[(1S)-1-piperazin-1-ylhexyl]benzonitrile
CID 171308883
2-[(1R)-1-piperazin-1-ylpentyl]benzonitrile;dihydrochloride
CID 171307585
2-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzonitrile;hydrochloride
CID 171189089
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171288074
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
CID 171288069
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171310211
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile?
The IUPAC name of 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile (CID 171310787) is 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile.
What is the SMILES notation for 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile?
The canonical SMILES for 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile is CC(C)CC[C@H](c1ccccc1C#N)N1CCNCC1.
What is the InChIKey of 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile?
The InChIKey is HIJDCDWQJDQUKO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)7-8-17(20-11-9-19-10-12-20)16-6-4-3-5-15(16)13-18/h3-6,14,17,19H,7-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile?
2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile has a molecular weight of 271.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile is sourced from PubChem (CID 171310787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).