1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride

C24H41ClN2O — CID 23142849

IUPAC1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride
SMILESCCCN1CCN(c2ccc(OC)cc2C2CC(C)(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C24H40N2O.ClH/c1-7-10-25-11-13-26(14-12-25)22-9-8-20(27-6)15-21(22)19-16-23(2,3)18-24(4,5)17-19;/h8-9,15,19H,7,10-14,16-18H2,1-6H3;1H
InChIKeyVYJLFWDCWUCBGK-UHFFFAOYSA-N
MW409.06 g/mol
LogP5.97
Rot. Bonds5

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

1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride (PubChem CID 23142849) has the molecular formula C24H41ClN2O and a molecular weight of 409.06 g/mol. Its IUPAC name is 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride
PubChem CID23142849
Molecular FormulaC24H41ClN2O
Molecular Weight409.06 g/mol
Exact Mass408.29
IUPAC Name1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride
SMILESCCCN1CCN(c2ccc(OC)cc2C2CC(C)(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C24H40N2O.ClH/c1-7-10-25-11-13-26(14-12-25)22-9-8-20(27-6)15-21(22)19-16-23(2,3)18-24(4,5)17-19;/h8-9,15,19H,7,10-14,16-18H2,1-6H3;1H
InChIKeyVYJLFWDCWUCBGK-UHFFFAOYSA-N
XLogP5.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.06
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-phenylpiperazine
CID 10247330
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(naphthalen-1-yl)piperazine
CID 10938233
1-Phenyl-4-(3-(1,2,3,4-tetrahydro-7-methoxy-1-naphthalenyl)propyl)piperazine
CID 10406491
1-[3-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10473986
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-ethyl]-4-phenyl-piperazine
CID 10569886
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617865
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617866
1-[2-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride?
The IUPAC name of 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride (CID 23142849) is 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride.
What is the SMILES notation for 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride?
The canonical SMILES for 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride is CCCN1CCN(c2ccc(OC)cc2C2CC(C)(C)CC(C)(C)C2)CC1.Cl.
What is the InChIKey of 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride?
The InChIKey is VYJLFWDCWUCBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O.ClH/c1-7-10-25-11-13-26(14-12-25)22-9-8-20(27-6)15-21(22)19-16-23(2,3)18-24(4,5)17-19;/h8-9,15,19H,7,10-14,16-18H2,1-6H3;1H.
What are the key properties of 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride?
1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride has a molecular weight of 409.06 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine;hydrochloride is sourced from PubChem (CID 23142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).