2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile

C18H28N4 — CID 83978229

IUPAC2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2ccc(N(CC)CC)cc2)CC1
InChIInChI=1S/C18H28N4/c1-4-20-11-13-22(14-12-20)18(15-19)16-7-9-17(10-8-16)21(5-2)6-3/h7-10,18H,4-6,11-14H2,1-3H3
InChIKeyFOUOFEHLEPXANX-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.73
Rot. Bonds6

About 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile

2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile (PubChem CID 83978229) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile
PubChem CID83978229
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2ccc(N(CC)CC)cc2)CC1
InChIInChI=1S/C18H28N4/c1-4-20-11-13-22(14-12-20)18(15-19)16-7-9-17(10-8-16)21(5-2)6-3/h7-10,18H,4-6,11-14H2,1-3H3
InChIKeyFOUOFEHLEPXANX-UHFFFAOYSA-N
XLogP2.73
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(diethylamino)phenyl]-2-(3-methylpiperidin-1-yl)acetonitrile
CID 84756826
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
2-(4-ethylpiperazin-1-yl)-2-(4-methoxy-3-propan-2-yloxyphenyl)acetonitrile
CID 112540127
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-[4-(2-methylpropoxy)phenyl]-2-(4-propylpiperazin-1-yl)acetonitrile
CID 112540245
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84746336
4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110350392
2-(4-methylphenyl)-2-(4-propanoylpiperazin-1-yl)acetonitrile
CID 110349764
2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
CID 112539444
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-(4-butanoylpiperazin-1-yl)-2-(4-methylphenyl)acetonitrile
CID 110349765
2-(3-chlorophenyl)-2-(4-propylpiperazin-1-yl)acetonitrile
CID 112539255

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile (CID 83978229) is 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile is CCN1CCN(C(C#N)c2ccc(N(CC)CC)cc2)CC1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile?
The InChIKey is FOUOFEHLEPXANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-4-20-11-13-22(14-12-20)18(15-19)16-7-9-17(10-8-16)21(5-2)6-3/h7-10,18H,4-6,11-14H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile?
2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile has a molecular weight of 300.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 83978229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).