1-[2-(3-cycloheptylphenyl)ethyl]piperazine

C19H30N2 — CID 117462171

IUPAC1-[2-(3-cycloheptylphenyl)ethyl]piperazine
SMILESc1cc(CCN2CCNCC2)cc(C2CCCCCC2)c1
InChIInChI=1S/C19H30N2/c1-2-4-8-18(7-3-1)19-9-5-6-17(16-19)10-13-21-14-11-20-12-15-21/h5-6,9,16,18,20H,1-4,7-8,10-15H2
InChIKeyQGTQSUZMCBPSAZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-(3-cycloheptylphenyl)ethyl]piperazine

1-[2-(3-cycloheptylphenyl)ethyl]piperazine (PubChem CID 117462171) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-(3-cycloheptylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-cycloheptylphenyl)ethyl]piperazine
PubChem CID117462171
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[2-(3-cycloheptylphenyl)ethyl]piperazine
SMILESc1cc(CCN2CCNCC2)cc(C2CCCCCC2)c1
InChIInChI=1S/C19H30N2/c1-2-4-8-18(7-3-1)19-9-5-6-17(16-19)10-13-21-14-11-20-12-15-21/h5-6,9,16,18,20H,1-4,7-8,10-15H2
InChIKeyQGTQSUZMCBPSAZ-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-[2-(3-cycloheptylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-cycloheptylphenyl)ethyl]piperazine (CID 117462171) is 1-[2-(3-cycloheptylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-cycloheptylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-cycloheptylphenyl)ethyl]piperazine is c1cc(CCN2CCNCC2)cc(C2CCCCCC2)c1.
What is the InChIKey of 1-[2-(3-cycloheptylphenyl)ethyl]piperazine?
The InChIKey is QGTQSUZMCBPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-4-8-18(7-3-1)19-9-5-6-17(16-19)10-13-21-14-11-20-12-15-21/h5-6,9,16,18,20H,1-4,7-8,10-15H2.
What are the key properties of 1-[2-(3-cycloheptylphenyl)ethyl]piperazine?
1-[2-(3-cycloheptylphenyl)ethyl]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-[2-(3-cycloheptylphenyl)ethyl]piperazine is sourced from PubChem (CID 117462171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).