2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine

C20H26N4 — CID 19958540

IUPAC2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESc1ccc(C2CCC(N3CCN(c4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-2-5-17(6-3-1)18-7-9-19(10-8-18)23-13-15-24(16-14-23)20-21-11-4-12-22-20/h1-6,11-12,18-19H,7-10,13-16H2
InChIKeyWNAHBZUGFDOSLE-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.33
Rot. Bonds3

About 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine

2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine (PubChem CID 19958540) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
PubChem CID19958540
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESc1ccc(C2CCC(N3CCN(c4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-2-5-17(6-3-1)18-7-9-19(10-8-18)23-13-15-24(16-14-23)20-21-11-4-12-22-20/h1-6,11-12,18-19H,7-10,13-16H2
InChIKeyWNAHBZUGFDOSLE-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine (CID 19958540) is 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine is c1ccc(C2CCC(N3CCN(c4ncccn4)CC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine?
The InChIKey is WNAHBZUGFDOSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-5-17(6-3-1)18-7-9-19(10-8-18)23-13-15-24(16-14-23)20-21-11-4-12-22-20/h1-6,11-12,18-19H,7-10,13-16H2.
What are the key properties of 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine?
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine has a molecular weight of 322.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 19958540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).