6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one

C23H29ClN2O2 — CID 10573099

IUPAC6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one
SMILESCOc1cccc(C(=O)CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H29ClN2O2/c1-28-22-7-5-6-19(18-22)23(27)8-3-2-4-13-25-14-16-26(17-15-25)21-11-9-20(24)10-12-21/h5-7,9-12,18H,2-4,8,13-17H2,1H3
InChIKeyNMIDBRJGNPMELY-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.91
Rot. Bonds9

About 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one

6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one (PubChem CID 10573099) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one
PubChem CID10573099
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one
SMILESCOc1cccc(C(=O)CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H29ClN2O2/c1-28-22-7-5-6-19(18-22)23(27)8-3-2-4-13-25-14-16-26(17-15-25)21-11-9-20(24)10-12-21/h5-7,9-12,18H,2-4,8,13-17H2,1H3
InChIKeyNMIDBRJGNPMELY-UHFFFAOYSA-N
XLogP4.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one?
The IUPAC name of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one (CID 10573099) is 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one.
What is the SMILES notation for 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one?
The canonical SMILES for 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one is COc1cccc(C(=O)CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one?
The InChIKey is NMIDBRJGNPMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-28-22-7-5-6-19(18-22)23(27)8-3-2-4-13-25-14-16-26(17-15-25)21-11-9-20(24)10-12-21/h5-7,9-12,18H,2-4,8,13-17H2,1H3.
What are the key properties of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one?
6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one has a molecular weight of 400.95 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one is sourced from PubChem (CID 10573099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).