1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine

C20H31ClN2 — CID 784467

IUPAC1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
SMILESCC(C)(C)C1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C20H31ClN2/c1-20(2,3)16-7-9-18(10-8-16)22-11-13-23(14-12-22)19-6-4-5-17(21)15-19/h4-6,15-16,18H,7-14H2,1-3H3
InChIKeyAJANOVIIUBOMPG-UHFFFAOYSA-N
MW334.94 g/mol
LogP5.07
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine

1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine (PubChem CID 784467) has the molecular formula C20H31ClN2 and a molecular weight of 334.94 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
PubChem CID784467
Molecular FormulaC20H31ClN2
Molecular Weight334.94 g/mol
Exact Mass334.22
IUPAC Name1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
SMILESCC(C)(C)C1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C20H31ClN2/c1-20(2,3)16-7-9-18(10-8-16)22-11-13-23(14-12-22)19-6-4-5-17(21)15-19/h4-6,15-16,18H,7-14H2,1-3H3
InChIKeyAJANOVIIUBOMPG-UHFFFAOYSA-N
XLogP5.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.94
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
CID 2846303
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
CID 6456424
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 2846614
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
CID 174396621
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
CID 25165253

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine (CID 784467) is 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine is CC(C)(C)C1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine?
The InChIKey is AJANOVIIUBOMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2/c1-20(2,3)16-7-9-18(10-8-16)22-11-13-23(14-12-22)19-6-4-5-17(21)15-19/h4-6,15-16,18H,7-14H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine?
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine has a molecular weight of 334.94 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 784467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).