1-(1-cyclohexylethyl)-3-phenylpiperazine

C18H28N2 — CID 64953769

IUPAC1-(1-cyclohexylethyl)-3-phenylpiperazine
SMILESCC(C1CCCCC1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-15(16-8-4-2-5-9-16)20-13-12-19-18(14-20)17-10-6-3-7-11-17/h3,6-7,10-11,15-16,18-19H,2,4-5,8-9,12-14H2,1H3
InChIKeyHZGZPDYQASRZLA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds3

About 1-(1-cyclohexylethyl)-3-phenylpiperazine

1-(1-cyclohexylethyl)-3-phenylpiperazine (PubChem CID 64953769) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-3-phenylpiperazine
PubChem CID64953769
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(1-cyclohexylethyl)-3-phenylpiperazine
SMILESCC(C1CCCCC1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-15(16-8-4-2-5-9-16)20-13-12-19-18(14-20)17-10-6-3-7-11-17/h3,6-7,10-11,15-16,18-19H,2,4-5,8-9,12-14H2,1H3
InChIKeyHZGZPDYQASRZLA-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine
CID 64918287
1-(4-methylpentan-2-yl)-3-phenylpiperazine
CID 64924253
1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine
CID 113473072
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane
CID 64945308
1-(1-cyclopropylbutan-2-yl)-3-phenyl-1,4-diazepane
CID 64949626
1-chloro-3-phenylpiperazine
CID 18428014
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
1-(1-cyclopentylethyl)-3-(2-methylpropyl)piperazine
CID 64953833
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
1-(cyclohexylmethyl)-3-phenyl-1,4-diazepane
CID 64857077
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432
(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-3-phenylpiperazine?
The IUPAC name of 1-(1-cyclohexylethyl)-3-phenylpiperazine (CID 64953769) is 1-(1-cyclohexylethyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(1-cyclohexylethyl)-3-phenylpiperazine?
The canonical SMILES for 1-(1-cyclohexylethyl)-3-phenylpiperazine is CC(C1CCCCC1)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(1-cyclohexylethyl)-3-phenylpiperazine?
The InChIKey is HZGZPDYQASRZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(16-8-4-2-5-9-16)20-13-12-19-18(14-20)17-10-6-3-7-11-17/h3,6-7,10-11,15-16,18-19H,2,4-5,8-9,12-14H2,1H3.
What are the key properties of 1-(1-cyclohexylethyl)-3-phenylpiperazine?
1-(1-cyclohexylethyl)-3-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-3-phenylpiperazine is sourced from PubChem (CID 64953769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).