1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine

C19H30N2 — CID 82255626

IUPAC1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine
SMILESCC(Cc1ccc(C2CCCCC2)cc1)N1CCNCC1
InChIInChI=1S/C19H30N2/c1-16(21-13-11-20-12-14-21)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-10,16,18,20H,2-6,11-15H2,1H3
InChIKeyWFIRWXYHZGNXJR-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.57
Rot. Bonds4

About 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine

1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine (PubChem CID 82255626) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine
PubChem CID82255626
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine
SMILESCC(Cc1ccc(C2CCCCC2)cc1)N1CCNCC1
InChIInChI=1S/C19H30N2/c1-16(21-13-11-20-12-14-21)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-10,16,18,20H,2-6,11-15H2,1H3
InChIKeyWFIRWXYHZGNXJR-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine (CID 82255626) is 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine is CC(Cc1ccc(C2CCCCC2)cc1)N1CCNCC1.
What is the InChIKey of 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine?
The InChIKey is WFIRWXYHZGNXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16(21-13-11-20-12-14-21)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-10,16,18,20H,2-6,11-15H2,1H3.
What are the key properties of 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine?
1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82255626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).