1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine

C24H38N2 — CID 23141887

IUPAC1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine
SMILESCCCCN1CCN(c2ccccc2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H38N2/c1-5-6-15-25-16-18-26(19-17-25)23-10-8-7-9-22(23)20-11-13-21(14-12-20)24(2,3)4/h7-11,21H,5-6,12-19H2,1-4H3
InChIKeyUIXLDNWEBDVHFB-UHFFFAOYSA-N
MW354.58 g/mol
LogP5.84
Rot. Bonds5

About 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine

1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine (PubChem CID 23141887) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine
PubChem CID23141887
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine
SMILESCCCCN1CCN(c2ccccc2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H38N2/c1-5-6-15-25-16-18-26(19-17-25)23-10-8-7-9-22(23)20-11-13-21(14-12-20)24(2,3)4/h7-11,21H,5-6,12-19H2,1-4H3
InChIKeyUIXLDNWEBDVHFB-UHFFFAOYSA-N
XLogP5.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine;hydrochloride
CID 69294772
1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)-4-piperidin-1-ylphenyl]piperazine
CID 23142680
1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine
CID 58767695
1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine
CID 23141899
2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide
CID 69220329
N-[3-(4-tert-butylcyclohexen-1-yl)-4-(4-butylpiperazin-1-yl)phenyl]-N-methyloxan-4-amine
CID 58767851
5-(4-tert-butylcyclohexen-1-yl)-6-(4-butylpiperazin-1-yl)-2-methyl-1,3-benzothiazole;dihydrochloride
CID 68976355
1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine
CID 23142115
1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
CID 11198672
1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
CID 23142503
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23141815
1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-one
CID 58767818

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine?
The IUPAC name of 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine (CID 23141887) is 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine.
What is the SMILES notation for 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine?
The canonical SMILES for 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine is CCCCN1CCN(c2ccccc2C2=CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine?
The InChIKey is UIXLDNWEBDVHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/c1-5-6-15-25-16-18-26(19-17-25)23-10-8-7-9-22(23)20-11-13-21(14-12-20)24(2,3)4/h7-11,21H,5-6,12-19H2,1-4H3.
What are the key properties of 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine?
1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine has a molecular weight of 354.58 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine is sourced from PubChem (CID 23141887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).