2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile

C12H24N4 — CID 55211744

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C12H24N4/c1-4-12(11-13)16-9-7-15(8-10-16)6-5-14(2)3/h12H,4-10H2,1-3H3
InChIKeyMDITWHSDPIKYTG-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.47
Rot. Bonds5

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile (PubChem CID 55211744) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile
PubChem CID55211744
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C12H24N4/c1-4-12(11-13)16-9-7-15(8-10-16)6-5-14(2)3/h12H,4-10H2,1-3H3
InChIKeyMDITWHSDPIKYTG-UHFFFAOYSA-N
XLogP0.47
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345
2-[4-(4-methoxybutyl)piperazin-1-yl]butanenitrile
CID 104647613
2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339572
2-(4-but-3-en-2-ylpiperazin-1-yl)butanenitrile
CID 55219488
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butanenitrile
CID 63339270
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
2-[4-(1-cyanopropyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63338740
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
CID 82897600
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
CID 63339911
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 62888834
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
CID 65213503

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile (CID 55211744) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile?
The InChIKey is MDITWHSDPIKYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-12(11-13)16-9-7-15(8-10-16)6-5-14(2)3/h12H,4-10H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile has a molecular weight of 224.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanenitrile is sourced from PubChem (CID 55211744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).