1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine

C24H29ClN2O — CID 14978231

IUPAC1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1C(CCCN1CCN(c3cccc(Cl)c3)CC1)=CCC2
InChIInChI=1S/C24H29ClN2O/c1-28-23-12-3-8-19-6-2-7-20(24(19)23)9-5-13-26-14-16-27(17-15-26)22-11-4-10-21(25)18-22/h3-4,7-8,10-12,18H,2,5-6,9,13-17H2,1H3
InChIKeyPFBQXBPMJULGOX-UHFFFAOYSA-N
MW396.96 g/mol
LogP5.28
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine

1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine (PubChem CID 14978231) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
PubChem CID14978231
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC Name1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1C(CCCN1CCN(c3cccc(Cl)c3)CC1)=CCC2
InChIInChI=1S/C24H29ClN2O/c1-28-23-12-3-8-19-6-2-7-20(24(19)23)9-5-13-26-14-16-27(17-15-26)22-11-4-10-21(25)18-22/h3-4,7-8,10-12,18H,2,5-6,9,13-17H2,1H3
InChIKeyPFBQXBPMJULGOX-UHFFFAOYSA-N
XLogP5.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine (CID 14978231) is 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine is COc1cccc2c1C(CCCN1CCN(c3cccc(Cl)c3)CC1)=CCC2.
What is the InChIKey of 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine?
The InChIKey is PFBQXBPMJULGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O/c1-28-23-12-3-8-19-6-2-7-20(24(19)23)9-5-13-26-14-16-27(17-15-26)22-11-4-10-21(25)18-22/h3-4,7-8,10-12,18H,2,5-6,9,13-17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine?
1-(3-chlorophenyl)-4-[3-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine has a molecular weight of 396.96 g/mol, XLogP of 5.28, 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-(8-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 14978231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).