[2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone

C28H29F2NO2 — CID 67820733

IUPAC[2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(C2(O)CCN(CCCCc3ccccc3)CC2)ccc1F
InChIInChI=1S/C28H29F2NO2/c29-24-12-9-22(10-13-24)27(32)25-20-23(11-14-26(25)30)28(33)15-18-31(19-16-28)17-5-4-8-21-6-2-1-3-7-21/h1-3,6-7,9-14,20,33H,4-5,8,15-19H2
InChIKeyDXPOPAOKLBLRJF-UHFFFAOYSA-N
MW449.54 g/mol
LogP5.50
Rot. Bonds8

About [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone

[2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 67820733) has the molecular formula C28H29F2NO2 and a molecular weight of 449.54 g/mol. Its IUPAC name is [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone
PubChem CID67820733
Molecular FormulaC28H29F2NO2
Molecular Weight449.54 g/mol
Exact Mass449.22
IUPAC Name[2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(C2(O)CCN(CCCCc3ccccc3)CC2)ccc1F
InChIInChI=1S/C28H29F2NO2/c29-24-12-9-22(10-13-24)27(32)25-20-23(11-14-26(25)30)28(33)15-18-31(19-16-28)17-5-4-8-21-6-2-1-3-7-21/h1-3,6-7,9-14,20,33H,4-5,8,15-19H2
InChIKeyDXPOPAOKLBLRJF-UHFFFAOYSA-N
XLogP5.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.54
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 2448
4-[4-(2,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155545179
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101
4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 144925800
acetic acid;1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 131885739
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone (CID 67820733) is [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cc(C2(O)CCN(CCCCc3ccccc3)CC2)ccc1F.
What is the InChIKey of [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is DXPOPAOKLBLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2NO2/c29-24-12-9-22(10-13-24)27(32)25-20-23(11-14-26(25)30)28(33)15-18-31(19-16-28)17-5-4-8-21-6-2-1-3-7-21/h1-3,6-7,9-14,20,33H,4-5,8,15-19H2.
What are the key properties of [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone?
[2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 449.54 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[4-hydroxy-1-(4-phenylbutyl)piperidin-4-yl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67820733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).