1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one

C23H27FN2O2 — CID 133200332

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
SMILESCC(Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O2/c1-17(28-22-8-4-6-18-5-2-3-7-21(18)22)23(27)26-15-13-25(14-16-26)20-11-9-19(24)10-12-20/h4,6,8-12,17H,2-3,5,7,13-16H2,1H3
InChIKeyQICQPSBEVOCYTF-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.82
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one (PubChem CID 133200332) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
PubChem CID133200332
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
SMILESCC(Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O2/c1-17(28-22-8-4-6-18-5-2-3-7-21(18)22)23(27)26-15-13-25(14-16-26)20-11-9-19(24)10-12-20/h4,6,8-12,17H,2-3,5,7,13-16H2,1H3
InChIKeyQICQPSBEVOCYTF-UHFFFAOYSA-N
XLogP3.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one with MolForge

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 133261944
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133184610
(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93487258
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100711289
(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 100768275
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 27195534
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 55434716
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235388
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 46634903
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one (CID 133200332) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one is CC(Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
The InChIKey is QICQPSBEVOCYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-17(28-22-8-4-6-18-5-2-3-7-21(18)22)23(27)26-15-13-25(14-16-26)20-11-9-19(24)10-12-20/h4,6,8-12,17H,2-3,5,7,13-16H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one has a molecular weight of 382.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one is sourced from PubChem (CID 133200332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).