2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile

C17H25N3 — CID 84751985

IUPAC2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
SMILESCC(C)c1ccc(CC(C)(C#N)N2CCNCC2)cc1
InChIInChI=1S/C17H25N3/c1-14(2)16-6-4-15(5-7-16)12-17(3,13-18)20-10-8-19-9-11-20/h4-7,14,19H,8-12H2,1-3H3
InChIKeyKNNWRZCHCCIQIK-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile

2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile (PubChem CID 84751985) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
PubChem CID84751985
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
SMILESCC(C)c1ccc(CC(C)(C#N)N2CCNCC2)cc1
InChIInChI=1S/C17H25N3/c1-14(2)16-6-4-15(5-7-16)12-17(3,13-18)20-10-8-19-9-11-20/h4-7,14,19H,8-12H2,1-3H3
InChIKeyKNNWRZCHCCIQIK-UHFFFAOYSA-N
XLogP2.54
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751695
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555
3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile
CID 84752010
1-[2-methyl-1-[4-(2-methylpropyl)phenyl]propan-2-yl]piperazine
CID 95477611
2-methyl-2-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 84751999
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
3-(4-bromophenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82095044
2-methyl-2-piperazin-1-ylheptanenitrile
CID 80557403
N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
CID 115229953
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
2-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)-2-methylpropanenitrile
CID 61005584
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile?
The IUPAC name of 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile (CID 84751985) is 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile is CC(C)c1ccc(CC(C)(C#N)N2CCNCC2)cc1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile?
The InChIKey is KNNWRZCHCCIQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)16-6-4-15(5-7-16)12-17(3,13-18)20-10-8-19-9-11-20/h4-7,14,19H,8-12H2,1-3H3.
What are the key properties of 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile?
2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile has a molecular weight of 271.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile is sourced from PubChem (CID 84751985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).