4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride

C27H37ClN2O — CID 23141601

IUPAC4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(Cc3ccccc3)CC2=O)CC1.Cl
InChIInChI=1S/C27H36N2O.ClH/c1-27(2,3)23-15-13-22(14-16-23)24-11-7-8-12-25(24)29-18-17-28(20-26(29)30)19-21-9-5-4-6-10-21;/h4-12,22-23H,13-20H2,1-3H3;1H
InChIKeyQCPAJSIXCZAJJT-UHFFFAOYSA-N
MW441.06 g/mol
LogP6.28
Rot. Bonds4

About 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride

4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride (PubChem CID 23141601) has the molecular formula C27H37ClN2O and a molecular weight of 441.06 g/mol. Its IUPAC name is 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride
PubChem CID23141601
Molecular FormulaC27H37ClN2O
Molecular Weight441.06 g/mol
Exact Mass440.26
IUPAC Name4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(Cc3ccccc3)CC2=O)CC1.Cl
InChIInChI=1S/C27H36N2O.ClH/c1-27(2,3)23-15-13-22(14-16-23)24-11-7-8-12-25(24)29-18-17-28(20-26(29)30)19-21-9-5-4-6-10-21;/h4-12,22-23H,13-20H2,1-3H3;1H
InChIKeyQCPAJSIXCZAJJT-UHFFFAOYSA-N
XLogP6.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.06
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride
CID 23141796
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 23142749
4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
CID 6487972
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
CID 23143135
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
CID 174516681
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
CID 167436677
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
CID 69235175
1-benzyl-1'-(4-tert-butylcyclohexyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 11612040
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]pentanamide;hydrochloride
CID 174502572
1-benzyl-4-fluoropiperidin-3-one
CID 83670241

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride?
The IUPAC name of 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride (CID 23141601) is 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride is CC(C)(C)C1CCC(c2ccccc2N2CCN(Cc3ccccc3)CC2=O)CC1.Cl.
What is the InChIKey of 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride?
The InChIKey is QCPAJSIXCZAJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O.ClH/c1-27(2,3)23-15-13-22(14-16-23)24-11-7-8-12-25(24)29-18-17-28(20-26(29)30)19-21-9-5-4-6-10-21;/h4-12,22-23H,13-20H2,1-3H3;1H.
What are the key properties of 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride?
4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride has a molecular weight of 441.06 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 23141601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).