1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride

C26H43ClN2 — CID 23141796

IUPAC1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(CC3CCCC3)CC2)CC1.Cl
InChIInChI=1S/C26H42N2.ClH/c1-26(2,3)23-14-12-22(13-15-23)24-10-6-7-11-25(24)28-18-16-27(17-19-28)20-21-8-4-5-9-21;/h6-7,10-11,21-23H,4-5,8-9,12-20H2,1-3H3;1H
InChIKeyKFSILXFZSBRLIA-UHFFFAOYSA-N
MW419.10 g/mol
LogP6.74
Rot. Bonds4

About 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride

1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride (PubChem CID 23141796) has the molecular formula C26H43ClN2 and a molecular weight of 419.10 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride
PubChem CID23141796
Molecular FormulaC26H43ClN2
Molecular Weight419.10 g/mol
Exact Mass418.31
IUPAC Name1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(CC3CCCC3)CC2)CC1.Cl
InChIInChI=1S/C26H42N2.ClH/c1-26(2,3)23-14-12-22(13-15-23)24-10-6-7-11-25(24)28-18-16-27(17-19-28)20-21-8-4-5-9-21;/h6-7,10-11,21-23H,4-5,8-9,12-20H2,1-3H3;1H
InChIKeyKFSILXFZSBRLIA-UHFFFAOYSA-N
XLogP6.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.10
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 23142749
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
CID 23143135
1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine
CID 69218882
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
CID 174516681
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769450
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
1-[2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]cyclohexyl]propan-1-one
CID 150075303
3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
CID 23142984
1-(2-cycloheptylphenyl)-4-(2-methylpropyl)piperazine
CID 23143134
1-(2-cyclopropylphenyl)pyrrolidine
CID 155600422
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]pentanamide;hydrochloride
CID 174502572

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride (CID 23141796) is 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride is CC(C)(C)C1CCC(c2ccccc2N2CCN(CC3CCCC3)CC2)CC1.Cl.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride?
The InChIKey is KFSILXFZSBRLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2.ClH/c1-26(2,3)23-14-12-22(13-15-23)24-10-6-7-11-25(24)28-18-16-27(17-19-28)20-21-8-4-5-9-21;/h6-7,10-11,21-23H,4-5,8-9,12-20H2,1-3H3;1H.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride?
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride has a molecular weight of 419.10 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 23141796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).