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

C21H35ClN2 — CID 23143135

IUPAC1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1.Cl
InChIInChI=1S/C21H34N2.ClH/c1-21(2,3)18-11-9-17(10-12-18)19-7-5-6-8-20(19)23-15-13-22(4)14-16-23;/h5-8,17-18H,9-16H2,1-4H3;1H
InChIKeyXGNOEYWPXGIMMX-UHFFFAOYSA-N
MW350.98 g/mol
LogP5.18
Rot. Bonds2

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

1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride (PubChem CID 23143135) has the molecular formula C21H35ClN2 and a molecular weight of 350.98 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
PubChem CID23143135
Molecular FormulaC21H35ClN2
Molecular Weight350.98 g/mol
Exact Mass350.25
IUPAC Name1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1.Cl
InChIInChI=1S/C21H34N2.ClH/c1-21(2,3)18-11-9-17(10-12-18)19-7-5-6-8-20(19)23-15-13-22(4)14-16-23;/h5-8,17-18H,9-16H2,1-4H3;1H
InChIKeyXGNOEYWPXGIMMX-UHFFFAOYSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.98
LogP ≤ 55.18
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-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride (CID 23143135) is 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride is CN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1.Cl.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride?
The InChIKey is XGNOEYWPXGIMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2.ClH/c1-21(2,3)18-11-9-17(10-12-18)19-7-5-6-8-20(19)23-15-13-22(4)14-16-23;/h5-8,17-18H,9-16H2,1-4H3;1H.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride?
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride has a molecular weight of 350.98 g/mol, XLogP of 5.18, 2 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-methylpiperazine;hydrochloride is sourced from PubChem (CID 23143135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).