1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

C23H38N2 — CID 23141814

IUPAC1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCC(C)N1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H38N2/c1-18(2)24-11-13-25(14-12-24)21-10-8-7-9-20(21)19-15-22(3,4)17-23(5,6)16-19/h7-10,18-19H,11-17H2,1-6H3
InChIKeyHATQSKNRRHBBMW-UHFFFAOYSA-N
MW342.57 g/mol
LogP5.54
Rot. Bonds3

About 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (PubChem CID 23141814) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
PubChem CID23141814
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCC(C)N1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H38N2/c1-18(2)24-11-13-25(14-12-24)21-10-8-7-9-20(21)19-15-22(3,4)17-23(5,6)16-19/h7-10,18-19H,11-17H2,1-6H3
InChIKeyHATQSKNRRHBBMW-UHFFFAOYSA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23142693
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968
2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]butanenitrile
CID 23142337
cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
CID 69231285
1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
CID 11198672
1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 11245244
1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 23142557
1-(cyclopropylmethyl)-4-[4-pyridin-2-yl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23142800
2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]ethanol
CID 117374519
N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43585498
1-(2-cyclopropylphenyl)pyrrolidine
CID 155600422
1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine
CID 23143134

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (CID 23141814) is 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is CC(C)N1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The InChIKey is HATQSKNRRHBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-18(2)24-11-13-25(14-12-24)21-10-8-7-9-20(21)19-15-22(3,4)17-23(5,6)16-19/h7-10,18-19H,11-17H2,1-6H3.
What are the key properties of 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine has a molecular weight of 342.57 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is sourced from PubChem (CID 23141814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).