1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine

C23H26N2 — CID 15723887

IUPAC1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H26N2/c1-2-7-20(8-3-1)9-6-14-24-15-17-25(18-16-24)23-13-12-21-10-4-5-11-22(21)19-23/h1-5,7-8,10-13,19H,6,9,14-18H2
InChIKeyHHQLJSVFIZMGCH-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.59
Rot. Bonds5

About 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine

1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine (PubChem CID 15723887) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine
PubChem CID15723887
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H26N2/c1-2-7-20(8-3-1)9-6-14-24-15-17-25(18-16-24)23-13-12-21-10-4-5-11-22(21)19-23/h1-5,7-8,10-13,19H,6,9,14-18H2
InChIKeyHHQLJSVFIZMGCH-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine (CID 15723887) is 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCN(c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine?
The InChIKey is HHQLJSVFIZMGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-2-7-20(8-3-1)9-6-14-24-15-17-25(18-16-24)23-13-12-21-10-4-5-11-22(21)19-23/h1-5,7-8,10-13,19H,6,9,14-18H2.
What are the key properties of 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine?
1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine has a molecular weight of 330.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 15723887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).