1-benzyl-2,5-dicyclohexylpiperazine

C23H36N2 — CID 64861335

IUPAC1-benzyl-2,5-dicyclohexylpiperazine
SMILESc1ccc(CN2CC(C3CCCCC3)NCC2C2CCCCC2)cc1
InChIInChI=1S/C23H36N2/c1-4-10-19(11-5-1)17-25-18-22(20-12-6-2-7-13-20)24-16-23(25)21-14-8-3-9-15-21/h1,4-5,10-11,20-24H,2-3,6-9,12-18H2
InChIKeyFBPJIAMVOUQTJX-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.99
Rot. Bonds4

About 1-benzyl-2,5-dicyclohexylpiperazine

1-benzyl-2,5-dicyclohexylpiperazine (PubChem CID 64861335) has the molecular formula C23H36N2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-benzyl-2,5-dicyclohexylpiperazine.

Molecular Properties

Compound Name1-benzyl-2,5-dicyclohexylpiperazine
PubChem CID64861335
Molecular FormulaC23H36N2
Molecular Weight340.55 g/mol
Exact Mass340.29
IUPAC Name1-benzyl-2,5-dicyclohexylpiperazine
SMILESc1ccc(CN2CC(C3CCCCC3)NCC2C2CCCCC2)cc1
InChIInChI=1S/C23H36N2/c1-4-10-19(11-5-1)17-25-18-22(20-12-6-2-7-13-20)24-16-23(25)21-14-8-3-9-15-21/h1,4-5,10-11,20-24H,2-3,6-9,12-18H2
InChIKeyFBPJIAMVOUQTJX-UHFFFAOYSA-N
XLogP4.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2,5-dicyclohexylpiperazine 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

1-[(3-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64862434
2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
CID 64861091
1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
1-benzyl-2-cyclopropyl-5-propylpiperazine
CID 64839373
2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
CID 107310522
6-benzyl-3,6-diazabicyclo[3.2.0]heptane
CID 83669976
1-butyl-2-cyclohexyl-5-cyclopropylpiperazine
CID 64861672
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
2-tert-butyl-1-[(3-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64861094
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine
CID 104650306

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dicyclohexylpiperazine?
The IUPAC name of 1-benzyl-2,5-dicyclohexylpiperazine (CID 64861335) is 1-benzyl-2,5-dicyclohexylpiperazine.
What is the SMILES notation for 1-benzyl-2,5-dicyclohexylpiperazine?
The canonical SMILES for 1-benzyl-2,5-dicyclohexylpiperazine is c1ccc(CN2CC(C3CCCCC3)NCC2C2CCCCC2)cc1.
What is the InChIKey of 1-benzyl-2,5-dicyclohexylpiperazine?
The InChIKey is FBPJIAMVOUQTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-4-10-19(11-5-1)17-25-18-22(20-12-6-2-7-13-20)24-16-23(25)21-14-8-3-9-15-21/h1,4-5,10-11,20-24H,2-3,6-9,12-18H2.
What are the key properties of 1-benzyl-2,5-dicyclohexylpiperazine?
1-benzyl-2,5-dicyclohexylpiperazine has a molecular weight of 340.55 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dicyclohexylpiperazine is sourced from PubChem (CID 64861335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).