2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile

C15H22N4 — CID 54880641

IUPAC2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile
SMILESCN(C)c1ccc(C(C)(C#N)N2CCNCC2)cc1
InChIInChI=1S/C15H22N4/c1-15(12-16,19-10-8-17-9-11-19)13-4-6-14(7-5-13)18(2)3/h4-7,17H,8-11H2,1-3H3
InChIKeySRJHJFMVADKREJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.40
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile

2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile (PubChem CID 54880641) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile
PubChem CID54880641
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile
SMILESCN(C)c1ccc(C(C)(C#N)N2CCNCC2)cc1
InChIInChI=1S/C15H22N4/c1-15(12-16,19-10-8-17-9-11-19)13-4-6-14(7-5-13)18(2)3/h4-7,17H,8-11H2,1-3H3
InChIKeySRJHJFMVADKREJ-UHFFFAOYSA-N
XLogP1.40
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanoate
CID 61002598
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile
CID 102013870
2-[4-(dimethylamino)phenyl]-2-(ethylamino)propanenitrile
CID 60965770
3-[4-(dimethylamino)phenyl]-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82093562
2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile
CID 13056636
2-(4-methoxyphenyl)-2-piperazin-1-ylbutanenitrile
CID 18070890
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035
2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-yl]piperazine
CID 95479293
2-[4-(dimethylamino)phenyl]-2-phenyl-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]acetonitrile
CID 15883913
2-methyl-2-piperazin-1-ylheptanenitrile
CID 80557403

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile (CID 54880641) is 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile is CN(C)c1ccc(C(C)(C#N)N2CCNCC2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile?
The InChIKey is SRJHJFMVADKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(12-16,19-10-8-17-9-11-19)13-4-6-14(7-5-13)18(2)3/h4-7,17H,8-11H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile?
2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile has a molecular weight of 258.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile is sourced from PubChem (CID 54880641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).