(4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

C22H20FNO2 — CID 56700784

IUPAC(4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C22H20FNO2/c23-19-9-7-16(8-10-19)22(26)24-12-11-20(21(25)14-24)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13,20-21,25H,11-12,14H2/t20-,21+/m0/s1
InChIKeyWVPZBWSEFWTBEZ-LEWJYISDSA-N
MW349.41 g/mol
LogP3.97
Rot. Bonds2

About (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

(4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (PubChem CID 56700784) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
PubChem CID56700784
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name(4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C22H20FNO2/c23-19-9-7-16(8-10-19)22(26)24-12-11-20(21(25)14-24)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13,20-21,25H,11-12,14H2/t20-,21+/m0/s1
InChIKeyWVPZBWSEFWTBEZ-LEWJYISDSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)[2-(naphthalen-2-yl)propan-2-yl]carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)benzamide
CID 461061
2-(2-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan-2-yl)carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)-5-methyl-N-(2-phenylpropan-2-yl)benzamide
CID 461065
2,6-difluoro-N-[2-hydroxy-2-(2-naphthyl)ethyl]benzenecarboxamide
CID 3544778
(3-fluoro-4-methylphenyl)-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 44414345
{3-(2-Fluorobenzyl)-1-[(3'-methyl-2-biphenylyl)carbonyl]-3-piperidinyl}methanol
CID 45187271
(4-Benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone
CID 118734424
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]naphthalene-2-carboxamide
CID 44309060
[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70685777
3-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzamide
CID 56764098
N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 56764121
(3,5-difluorophenyl)-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]methanone
CID 92445250
4-[6-(4,4-Difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid
CID 154667152

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (CID 56700784) is (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The InChIKey is WVPZBWSEFWTBEZ-LEWJYISDSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-19-9-7-16(8-10-19)22(26)24-12-11-20(21(25)14-24)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13,20-21,25H,11-12,14H2/t20-,21+/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone has a molecular weight of 349.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 56700784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).