3-cyclohexyl-1-(3-phenylpropyl)piperazine

C19H30N2 — CID 64834291

IUPAC3-cyclohexyl-1-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCNC(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H30N2/c1-3-8-17(9-4-1)10-7-14-21-15-13-20-19(16-21)18-11-5-2-6-12-18/h1,3-4,8-9,18-20H,2,5-7,10-16H2
InChIKeyQTQMPDHDUXXOJC-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.47
Rot. Bonds5

About 3-cyclohexyl-1-(3-phenylpropyl)piperazine

3-cyclohexyl-1-(3-phenylpropyl)piperazine (PubChem CID 64834291) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-phenylpropyl)piperazine
PubChem CID64834291
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-cyclohexyl-1-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCNC(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H30N2/c1-3-8-17(9-4-1)10-7-14-21-15-13-20-19(16-21)18-11-5-2-6-12-18/h1,3-4,8-9,18-20H,2,5-7,10-16H2
InChIKeyQTQMPDHDUXXOJC-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(4-phenylbutyl)-1,4-diazepane
CID 114334965
(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 11842673
(4aS,7aS)-6-(2-phenylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 104870048
3-cyclohexyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64833084
3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049
3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
CID 64833283
2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64953406
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
CID 81114088
3-cyclohexyl-1-(2-cyclopentyloxyethyl)piperazine
CID 64951819
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine
CID 67576444
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-phenylpropyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(3-phenylpropyl)piperazine (CID 64834291) is 3-cyclohexyl-1-(3-phenylpropyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(3-phenylpropyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCNC(C3CCCCC3)C2)cc1.
What is the InChIKey of 3-cyclohexyl-1-(3-phenylpropyl)piperazine?
The InChIKey is QTQMPDHDUXXOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-8-17(9-4-1)10-7-14-21-15-13-20-19(16-21)18-11-5-2-6-12-18/h1,3-4,8-9,18-20H,2,5-7,10-16H2.
What are the key properties of 3-cyclohexyl-1-(3-phenylpropyl)piperazine?
3-cyclohexyl-1-(3-phenylpropyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-phenylpropyl)piperazine is sourced from PubChem (CID 64834291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).