1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine

C25H34N2O — CID 9894291

IUPAC1-[1-(3-ethoxyphenyl)-4-methylcyclohexyl]-4-phenylpiperazine
SMILESCCOC1=CC=CC(=C1)C2(CCC(CC2)C)N3CCN(CC3)C4=CC=CC=C4
InChIInChI=1S/C25H34N2O/c1-3-28-24-11-7-8-22(20-24)25(14-12-21(2)13-15-25)27-18-16-26(17-19-27)23-9-5-4-6-10-23/h4-11,20-21H,3,12-19H2,1-2H3
InChIKeyHKVWLCPNTJYNBO-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.50
Rot. Bonds5

About 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine

1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine (PubChem CID 9894291) has the molecular formula C25H34N2O and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[1-(3-ethoxyphenyl)-4-methylcyclohexyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine
PubChem CID9894291
Molecular FormulaC25H34N2O
Molecular Weight378.50 g/mol
Exact Mass378.27
IUPAC Name1-[1-(3-ethoxyphenyl)-4-methylcyclohexyl]-4-phenylpiperazine
SMILESCCOC1=CC=CC(=C1)C2(CCC(CC2)C)N3CCN(CC3)C4=CC=CC=C4
InChIInChI=1S/C25H34N2O/c1-3-28-24-11-7-8-22(20-24)25(14-12-21(2)13-15-25)27-18-16-26(17-19-27)23-9-5-4-6-10-23/h4-11,20-21H,3,12-19H2,1-2H3
InChIKeyHKVWLCPNTJYNBO-UHFFFAOYSA-N
XLogP5.50
TPSA15.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity459

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5r,7s)-1-(3-Fluorophenyl)-3,7-Dimethyl-8-[3-(Propan-2-Yloxy)benzyl]-2-Thia-1,3,8-Triazaspiro[4.5]decane 2,2-Dioxide
CID 58157954
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639
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-(3-trifluoromethyl-phenyl)-piperazine
CID 10025711
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025712

Frequently Asked Questions

What is the IUPAC name of 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine?
The IUPAC name of 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine (CID 9894291) is 1-[1-(3-ethoxyphenyl)-4-methylcyclohexyl]-4-phenylpiperazine.
What is the SMILES notation for 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine?
The canonical SMILES for 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine is CCOC1=CC=CC(=C1)C2(CCC(CC2)C)N3CCN(CC3)C4=CC=CC=C4.
What is the InChIKey of 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine?
The InChIKey is HKVWLCPNTJYNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-28-24-11-7-8-22(20-24)25(14-12-21(2)13-15-25)27-18-16-26(17-19-27)23-9-5-4-6-10-23/h4-11,20-21H,3,12-19H2,1-2H3.
What are the key properties of 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine?
1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine has a molecular weight of 378.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine is sourced from PubChem (CID 9894291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).