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

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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).