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

C23H39ClN2 — CID 23142636

IUPAC1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
SMILESCCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C23H38N2.ClH/c1-6-11-24-12-14-25(15-13-24)21-10-8-7-9-20(21)19-16-22(2,3)18-23(4,5)17-19;/h7-10,19H,6,11-18H2,1-5H3;1H
InChIKeyVODIOFXRKKWRHX-UHFFFAOYSA-N
MW379.03 g/mol
LogP5.96
Rot. Bonds4

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

1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride (PubChem CID 23142636) has the molecular formula C23H39ClN2 and a molecular weight of 379.03 g/mol. Its IUPAC name is 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
PubChem CID23142636
Molecular FormulaC23H39ClN2
Molecular Weight379.03 g/mol
Exact Mass378.28
IUPAC Name1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
SMILESCCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C23H38N2.ClH/c1-6-11-24-12-14-25(15-13-24)21-10-8-7-9-20(21)19-16-22(2,3)18-23(4,5)17-19;/h7-10,19H,6,11-18H2,1-5H3;1H
InChIKeyVODIOFXRKKWRHX-UHFFFAOYSA-N
XLogP5.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.03
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride (CID 23142636) is 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride is CCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1.Cl.
What is the InChIKey of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
The InChIKey is VODIOFXRKKWRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2.ClH/c1-6-11-24-12-14-25(15-13-24)21-10-8-7-9-20(21)19-16-22(2,3)18-23(4,5)17-19;/h7-10,19H,6,11-18H2,1-5H3;1H.
What are the key properties of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride?
1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride has a molecular weight of 379.03 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 23142636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).