1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride

C21H27ClN2 — CID 3062503

IUPAC1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride
SMILESCl.c1ccc(N2CCN(CCC3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C21H26N2.ClH/c1-2-7-20(8-3-1)23-16-14-22(15-17-23)13-12-19-11-10-18-6-4-5-9-21(18)19;/h1-9,19H,10-17H2;1H
InChIKeyCIUYQOHQRFQMTK-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.35
Rot. Bonds4

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

1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride (PubChem CID 3062503) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride
PubChem CID3062503
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride
SMILESCl.c1ccc(N2CCN(CCC3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C21H26N2.ClH/c1-2-7-20(8-3-1)23-16-14-22(15-17-23)13-12-19-11-10-18-6-4-5-9-21(18)19;/h1-9,19H,10-17H2;1H
InChIKeyCIUYQOHQRFQMTK-UHFFFAOYSA-N
XLogP4.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride (CID 3062503) is 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride is Cl.c1ccc(N2CCN(CCC3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride?
The InChIKey is CIUYQOHQRFQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2.ClH/c1-2-7-20(8-3-1)23-16-14-22(15-17-23)13-12-19-11-10-18-6-4-5-9-21(18)19;/h1-9,19H,10-17H2;1H.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride?
1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-phenylpiperazine;hydrochloride is sourced from PubChem (CID 3062503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).