1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine

C17H25N3 — CID 71047436

IUPAC1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1=C(N2CCN(CC3C=CN=CC3)CC2)C=CCC1
InChIInChI=1S/C17H25N3/c1-15-4-2-3-5-17(15)20-12-10-19(11-13-20)14-16-6-8-18-9-7-16/h3,5-6,8-9,16H,2,4,7,10-14H2,1H3
InChIKeyVEIGSBKMUVURMI-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.83
Rot. Bonds3

About 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine

1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 71047436) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID71047436
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1=C(N2CCN(CC3C=CN=CC3)CC2)C=CCC1
InChIInChI=1S/C17H25N3/c1-15-4-2-3-5-17(15)20-12-10-19(11-13-20)14-16-6-8-18-9-7-16/h3,5-6,8-9,16H,2,4,7,10-14H2,1H3
InChIKeyVEIGSBKMUVURMI-UHFFFAOYSA-N
XLogP2.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine 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 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine (CID 71047436) is 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine is CC1=C(N2CCN(CC3C=CN=CC3)CC2)C=CCC1.
What is the InChIKey of 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is VEIGSBKMUVURMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-15-4-2-3-5-17(15)20-12-10-19(11-13-20)14-16-6-8-18-9-7-16/h3,5-6,8-9,16H,2,4,7,10-14H2,1H3.
What are the key properties of 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine?
1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 271.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 71047436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).