[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone

C22H26FNO2 — CID 70713781

IUPAC[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H26FNO2/c1-26-15-5-7-17-6-4-14-24(16-17)22(25)21-9-3-2-8-20(21)18-10-12-19(23)13-11-18/h2-3,8-13,17H,4-7,14-16H2,1H3
InChIKeyOIMDIVDAQBUDPU-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.77
Rot. Bonds6

About [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone

[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 70713781) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID70713781
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1
InChIInChI=1S/C22H26FNO2/c1-26-15-5-7-17-6-4-14-24(16-17)22(25)21-9-3-2-8-20(21)18-10-12-19(23)13-11-18/h2-3,8-13,17H,4-7,14-16H2,1H3
InChIKeyOIMDIVDAQBUDPU-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 124752994
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97117578
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
CID 28766858
5-[(3R)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 97137870
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
(3-chloro-4-fluorophenyl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70783009
(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134012
[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70775695
3-(2,4-difluorophenyl)-1-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]propan-1-one
CID 97136529
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone (CID 70713781) is [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone is COCCCC1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is OIMDIVDAQBUDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-26-15-5-7-17-6-4-14-24(16-17)22(25)21-9-3-2-8-20(21)18-10-12-19(23)13-11-18/h2-3,8-13,17H,4-7,14-16H2,1H3.
What are the key properties of [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70713781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).