1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine

C22H28N2 — CID 3062499

IUPAC1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine
SMILESc1ccc(N2CCN(CCCC3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H28N2/c1-2-9-21(10-3-1)24-17-15-23(16-18-24)14-6-8-20-13-12-19-7-4-5-11-22(19)20/h1-5,7,9-11,20H,6,8,12-18H2
InChIKeyMERMSSSTSLGXJR-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.32
Rot. Bonds5

About 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine

1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine (PubChem CID 3062499) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine
PubChem CID3062499
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine
SMILESc1ccc(N2CCN(CCCC3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H28N2/c1-2-9-21(10-3-1)24-17-15-23(16-18-24)14-6-8-20-13-12-19-7-4-5-11-22(19)20/h1-5,7,9-11,20H,6,8,12-18H2
InChIKeyMERMSSSTSLGXJR-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine (CID 3062499) is 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine is c1ccc(N2CCN(CCCC3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine?
The InChIKey is MERMSSSTSLGXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-2-9-21(10-3-1)24-17-15-23(16-18-24)14-6-8-20-13-12-19-7-4-5-11-22(19)20/h1-5,7,9-11,20H,6,8,12-18H2.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine?
1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine has a molecular weight of 320.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-4-phenylpiperazine is sourced from PubChem (CID 3062499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).