1-[3-(4-phenylpiperazin-1-yl)propyl]indole

C21H25N3 — CID 56652776

IUPAC1-[3-(4-phenylpiperazin-1-yl)propyl]indole
SMILESc1ccc(N2CCN(CCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C21H25N3/c1-2-8-20(9-3-1)23-17-15-22(16-18-23)12-6-13-24-14-11-19-7-4-5-10-21(19)24/h1-5,7-11,14H,6,12-13,15-18H2
InChIKeyVXILQLXJSINXHA-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.85
Rot. Bonds5

About 1-[3-(4-phenylpiperazin-1-yl)propyl]indole

1-[3-(4-phenylpiperazin-1-yl)propyl]indole (PubChem CID 56652776) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-(4-phenylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name1-[3-(4-phenylpiperazin-1-yl)propyl]indole
PubChem CID56652776
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-[3-(4-phenylpiperazin-1-yl)propyl]indole
SMILESc1ccc(N2CCN(CCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C21H25N3/c1-2-8-20(9-3-1)23-17-15-22(16-18-23)12-6-13-24-14-11-19-7-4-5-10-21(19)24/h1-5,7-11,14H,6,12-13,15-18H2
InChIKeyVXILQLXJSINXHA-UHFFFAOYSA-N
XLogP3.85
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylpiperazin-1-yl)propyl]indole?
The IUPAC name of 1-[3-(4-phenylpiperazin-1-yl)propyl]indole (CID 56652776) is 1-[3-(4-phenylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 1-[3-(4-phenylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 1-[3-(4-phenylpiperazin-1-yl)propyl]indole is c1ccc(N2CCN(CCCn3ccc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[3-(4-phenylpiperazin-1-yl)propyl]indole?
The InChIKey is VXILQLXJSINXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-2-8-20(9-3-1)23-17-15-22(16-18-23)12-6-13-24-14-11-19-7-4-5-10-21(19)24/h1-5,7-11,14H,6,12-13,15-18H2.
What are the key properties of 1-[3-(4-phenylpiperazin-1-yl)propyl]indole?
1-[3-(4-phenylpiperazin-1-yl)propyl]indole has a molecular weight of 319.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 56652776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).