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

C22H27ClN2 — CID 22029328

IUPAC1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
SMILESClc1cccc(N2CCN(CCCC3CCc4ccccc43)CC2)c1
InChIInChI=1S/C22H27ClN2/c23-20-7-3-8-21(17-20)25-15-13-24(14-16-25)12-4-6-19-11-10-18-5-1-2-9-22(18)19/h1-3,5,7-9,17,19H,4,6,10-16H2
InChIKeyTXFHBQHQGGBAIM-UHFFFAOYSA-N
MW354.92 g/mol
LogP4.97
Rot. Bonds5

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

1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine (PubChem CID 22029328) has the molecular formula C22H27ClN2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
PubChem CID22029328
Molecular FormulaC22H27ClN2
Molecular Weight354.92 g/mol
Exact Mass354.19
IUPAC Name1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
SMILESClc1cccc(N2CCN(CCCC3CCc4ccccc43)CC2)c1
InChIInChI=1S/C22H27ClN2/c23-20-7-3-8-21(17-20)25-15-13-24(14-16-25)12-4-6-19-11-10-18-5-1-2-9-22(18)19/h1-3,5,7-9,17,19H,4,6,10-16H2
InChIKeyTXFHBQHQGGBAIM-UHFFFAOYSA-N
XLogP4.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381129
1-(3-chlorophenyl)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-dihydroisoquinolin-3-one
CID 10480878
1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine
CID 141001586
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
CID 131905298
1-[3-(2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine
CID 67806462
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
(7aS)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 990015
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
CID 20532665
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6-dihydro-3H-thieno[2,3-d]triazin-4-one;hydrochloride
CID 24846863
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
CID 70730770
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine (CID 22029328) is 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine is Clc1cccc(N2CCN(CCCC3CCc4ccccc43)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
The InChIKey is TXFHBQHQGGBAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2/c23-20-7-3-8-21(17-20)25-15-13-24(14-16-25)12-4-6-19-11-10-18-5-1-2-9-22(18)19/h1-3,5,7-9,17,19H,4,6,10-16H2.
What are the key properties of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine has a molecular weight of 354.92 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine is sourced from PubChem (CID 22029328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).