1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride

C27H45ClN2 — CID 23142968

IUPAC1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
SMILESCC1(C)CC(c2ccccc2N2CCN(CC3CCCCC3)CC2)CC(C)(C)C1.Cl
InChIInChI=1S/C27H44N2.ClH/c1-26(2)18-23(19-27(3,4)21-26)24-12-8-9-13-25(24)29-16-14-28(15-17-29)20-22-10-6-5-7-11-22;/h8-9,12-13,22-23H,5-7,10-11,14-21H2,1-4H3;1H
InChIKeyKGZNCHDKZZBFSS-UHFFFAOYSA-N
MW433.12 g/mol
LogP7.13
Rot. Bonds4

About 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride

1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride (PubChem CID 23142968) has the molecular formula C27H45ClN2 and a molecular weight of 433.12 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
PubChem CID23142968
Molecular FormulaC27H45ClN2
Molecular Weight433.12 g/mol
Exact Mass432.33
IUPAC Name1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
SMILESCC1(C)CC(c2ccccc2N2CCN(CC3CCCCC3)CC2)CC(C)(C)C1.Cl
InChIInChI=1S/C27H44N2.ClH/c1-26(2)18-23(19-27(3,4)21-26)24-12-8-9-13-25(24)29-16-14-28(15-17-29)20-22-10-6-5-7-11-22;/h8-9,12-13,22-23H,5-7,10-11,14-21H2,1-4H3;1H
InChIKeyKGZNCHDKZZBFSS-UHFFFAOYSA-N
XLogP7.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.12
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride (CID 23142968) is 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride is CC1(C)CC(c2ccccc2N2CCN(CC3CCCCC3)CC2)CC(C)(C)C1.Cl.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
The InChIKey is KGZNCHDKZZBFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2.ClH/c1-26(2)18-23(19-27(3,4)21-26)24-12-8-9-13-25(24)29-16-14-28(15-17-29)20-22-10-6-5-7-11-22;/h8-9,12-13,22-23H,5-7,10-11,14-21H2,1-4H3;1H.
What are the key properties of 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride has a molecular weight of 433.12 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 23142968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).