2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine

C21H26N4 — CID 10246306

IUPAC2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine
SMILESC1=C(c2ccccc2)CC(CN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C21H26N4/c1-2-7-19(8-3-1)20-9-4-6-18(16-20)17-24-12-14-25(15-13-24)21-22-10-5-11-23-21/h1-3,5,7-11,18H,4,6,12-17H2
InChIKeyLZUOLMQBKILJRQ-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 10246306) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID10246306
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine
SMILESC1=C(c2ccccc2)CC(CN2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C21H26N4/c1-2-7-19(8-3-1)20-9-4-6-18(16-20)17-24-12-14-25(15-13-24)21-22-10-5-11-23-21/h1-3,5,7-11,18H,4,6,12-17H2
InChIKeyLZUOLMQBKILJRQ-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine 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 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine (CID 10246306) is 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine is C1=C(c2ccccc2)CC(CN2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is LZUOLMQBKILJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-2-7-19(8-3-1)20-9-4-6-18(16-20)17-24-12-14-25(15-13-24)21-22-10-5-11-23-21/h1-3,5,7-11,18H,4,6,12-17H2.
What are the key properties of 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 334.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-phenylcyclohex-3-en-1-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 10246306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).