1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine

C22H27ClN2O — CID 13038826

IUPAC1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
SMILESClc1cccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)c1
InChIInChI=1S/C22H27ClN2O/c23-20-6-2-7-21(17-20)25-13-11-24(12-14-25)10-3-15-26-22-9-8-18-4-1-5-19(18)16-22/h2,6-9,16-17H,1,3-5,10-15H2
InChIKeyCGIJSXNPNCJNLN-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.42
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine

1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine (PubChem CID 13038826) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
PubChem CID13038826
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
SMILESClc1cccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)c1
InChIInChI=1S/C22H27ClN2O/c23-20-6-2-7-21(17-20)25-13-11-24(12-14-25)10-3-15-26-22-9-8-18-4-1-5-19(18)16-22/h2,6-9,16-17H,1,3-5,10-15H2
InChIKeyCGIJSXNPNCJNLN-UHFFFAOYSA-N
XLogP4.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45260924
1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-nitrophenyl)piperazine
CID 13059006
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
CID 20532665
[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate
CID 20532689
7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014437
1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-2H-quinoline
CID 44589460
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
2-[6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111672
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine (CID 13038826) is 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine is Clc1cccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine?
The InChIKey is CGIJSXNPNCJNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c23-20-6-2-7-21(17-20)25-13-11-24(12-14-25)10-3-15-26-22-9-8-18-4-1-5-19(18)16-22/h2,6-9,16-17H,1,3-5,10-15H2.
What are the key properties of 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine?
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine has a molecular weight of 370.92 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine is sourced from PubChem (CID 13038826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).