1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine

C24H43FN2 — CID 140640636

IUPAC1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine
SMILESFC1CCC(N2CCN(CC(C3CCCCC3)C3CCCCC3)CC2)CC1
InChIInChI=1S/C24H43FN2/c25-22-11-13-23(14-12-22)27-17-15-26(16-18-27)19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h20-24H,1-19H2
InChIKeyWTTFNTIQCLYJBM-UHFFFAOYSA-N
MW378.62 g/mol
LogP5.66
Rot. Bonds5

About 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine

1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine (PubChem CID 140640636) has the molecular formula C24H43FN2 and a molecular weight of 378.62 g/mol. Its IUPAC name is 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine
PubChem CID140640636
Molecular FormulaC24H43FN2
Molecular Weight378.62 g/mol
Exact Mass378.34
IUPAC Name1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine
SMILESFC1CCC(N2CCN(CC(C3CCCCC3)C3CCCCC3)CC2)CC1
InChIInChI=1S/C24H43FN2/c25-22-11-13-23(14-12-22)27-17-15-26(16-18-27)19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h20-24H,1-19H2
InChIKeyWTTFNTIQCLYJBM-UHFFFAOYSA-N
XLogP5.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-4-(3-cyclohexylpropyl)piperazine
CID 44598132
2-[2-(4-Fluorocyclohexyl)-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine
CID 121277594
2-[2-Cyclohexyl-2-(4-fluoro-4-methylcyclohexyl)ethyl]-1-methylpiperidine
CID 121277597
1-(2-Fluoroethyl)-2-methyl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 145766777
6-(dicyclohexylmethyl)-N-[(4-fluorocyclohexyl)methyl]piperidin-3-amine
CID 145853991
6-(dicyclohexylmethyl)-N-(4-fluorocyclohexyl)piperidin-3-amine
CID 145853992
1-[(1-Fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine
CID 171598690
4-[2-(1-Adamantyl)ethyl]-2-(fluoromethyl)-1-propylpiperazine
CID 175937457
(2S)-2-fluoro-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 176796622
(2R)-2-fluoro-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 176796777
(2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 176797132
(2R)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 176797174

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine?
The IUPAC name of 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine (CID 140640636) is 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine.
What is the SMILES notation for 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine?
The canonical SMILES for 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine is FC1CCC(N2CCN(CC(C3CCCCC3)C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine?
The InChIKey is WTTFNTIQCLYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43FN2/c25-22-11-13-23(14-12-22)27-17-15-26(16-18-27)19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h20-24H,1-19H2.
What are the key properties of 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine?
1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine has a molecular weight of 378.62 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dicyclohexylethyl)-4-(4-fluorocyclohexyl)piperazine is sourced from PubChem (CID 140640636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).