(2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile

C19H32N4 — CID 97022640

IUPAC(2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESCC(C)C1CCC(N2CCN(C[C@@H](C#N)CCC#N)CC2)CC1
InChIInChI=1S/C19H32N4/c1-16(2)18-5-7-19(8-6-18)23-12-10-22(11-13-23)15-17(14-21)4-3-9-20/h16-19H,3-8,10-13,15H2,1-2H3/t17-,18?,19?/m1/s1
InChIKeyRIEJENHNVMUYKK-LMDPOFIKSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds6

About (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile

(2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile (PubChem CID 97022640) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile
PubChem CID97022640
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name(2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESCC(C)C1CCC(N2CCN(C[C@@H](C#N)CCC#N)CC2)CC1
InChIInChI=1S/C19H32N4/c1-16(2)18-5-7-19(8-6-18)23-12-10-22(11-13-23)15-17(14-21)4-3-9-20/h16-19H,3-8,10-13,15H2,1-2H3/t17-,18?,19?/m1/s1
InChIKeyRIEJENHNVMUYKK-LMDPOFIKSA-N
XLogP3.26
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile (CID 97022640) is (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile is CC(C)C1CCC(N2CCN(C[C@@H](C#N)CCC#N)CC2)CC1.
What is the InChIKey of (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile?
The InChIKey is RIEJENHNVMUYKK-LMDPOFIKSA-N. The full InChI is InChI=1S/C19H32N4/c1-16(2)18-5-7-19(8-6-18)23-12-10-22(11-13-23)15-17(14-21)4-3-9-20/h16-19H,3-8,10-13,15H2,1-2H3/t17-,18?,19?/m1/s1.
What are the key properties of (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile?
(2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile has a molecular weight of 316.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 97022640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).