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

C23H29ClN2O — CID 20532665

IUPAC1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
SMILESClc1cccc(N2CCN(CCCCOc3cccc4c3CCC4)CC2)c1
InChIInChI=1S/C23H29ClN2O/c24-20-8-5-9-21(18-20)26-15-13-25(14-16-26)12-1-2-17-27-23-11-4-7-19-6-3-10-22(19)23/h4-5,7-9,11,18H,1-3,6,10,12-17H2
InChIKeyDAOBFFRDPPIMTK-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.81
Rot. Bonds7

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

1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine (PubChem CID 20532665) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
PubChem CID20532665
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
SMILESClc1cccc(N2CCN(CCCCOc3cccc4c3CCC4)CC2)c1
InChIInChI=1S/C23H29ClN2O/c24-20-8-5-9-21(18-20)26-15-13-25(14-16-26)12-1-2-17-27-23-11-4-7-19-6-3-10-22(19)23/h4-5,7-9,11,18H,1-3,6,10,12-17H2
InChIKeyDAOBFFRDPPIMTK-UHFFFAOYSA-N
XLogP4.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.81
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

6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45260924
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
CID 24773437
(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone
CID 67697281
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-(3-chlorophenyl)-4-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
CID 10386085
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
CID 3060439
1-(3-chlorophenyl)-4-[2-(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)ethyl]piperazine
CID 12686486
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
CID 22029328
8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21243031
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine (CID 20532665) is 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine is Clc1cccc(N2CCN(CCCCOc3cccc4c3CCC4)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine?
The InChIKey is DAOBFFRDPPIMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c24-20-8-5-9-21(18-20)26-15-13-25(14-16-26)12-1-2-17-27-23-11-4-7-19-6-3-10-22(19)23/h4-5,7-9,11,18H,1-3,6,10,12-17H2.
What are the key properties of 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine?
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine has a molecular weight of 384.95 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine is sourced from PubChem (CID 20532665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).