1-(3-phenylpropyl)piperazine

C13H20N2 — CID 796534

IUPAC1-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCNCC2)cc1
InChIInChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
InChIKeyLOJCUYCKDGYLJH-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.52
Rot. Bonds4

About 1-(3-phenylpropyl)piperazine

1-(3-phenylpropyl)piperazine (PubChem CID 796534) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-phenylpropyl)piperazine
PubChem CID796534
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCNCC2)cc1
InChIInChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
InChIKeyLOJCUYCKDGYLJH-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzhydrylpiperazine
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CID 2723860
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1-Benzyl-4-methyl-piperazine
CID 763557

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(3-phenylpropyl)piperazine (CID 796534) is 1-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCNCC2)cc1.
What is the InChIKey of 1-(3-phenylpropyl)piperazine?
The InChIKey is LOJCUYCKDGYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 1-(3-phenylpropyl)piperazine?
1-(3-phenylpropyl)piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)piperazine is sourced from PubChem (CID 796534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).