[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol

C19H22FNO2 — CID 11220784

IUPAC[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol
SMILESCOc1ccc(N2CC[C@@H](c3ccc(F)cc3)[C@H](CO)C2)cc1
InChIInChI=1S/C19H22FNO2/c1-23-18-8-6-17(7-9-18)21-11-10-19(15(12-21)13-22)14-2-4-16(20)5-3-14/h2-9,15,19,22H,10-13H2,1H3/t15-,19-/m0/s1
InChIKeyVLCYBTCNRLWXDY-KXBFYZLASA-N
MW315.39 g/mol
LogP3.44
Rot. Bonds4

About [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol

[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol (PubChem CID 11220784) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol
PubChem CID11220784
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol
SMILESCOc1ccc(N2CC[C@@H](c3ccc(F)cc3)[C@H](CO)C2)cc1
InChIInChI=1S/C19H22FNO2/c1-23-18-8-6-17(7-9-18)21-11-10-19(15(12-21)13-22)14-2-4-16(20)5-3-14/h2-9,15,19,22H,10-13H2,1H3/t15-,19-/m0/s1
InChIKeyVLCYBTCNRLWXDY-KXBFYZLASA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-1-[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174930155
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286
1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
CID 19832084
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
(3R,4S)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 18635514
(3S,4R)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 67842080
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
2,3-dihydroxybutanedioic acid;(3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 70401571
2,3-dihydroxybutanedioic acid;4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 23319406
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174931072
tert-butyl (4R,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 153406776
prop-2-enyl (3R,4S)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 11011830

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol (CID 11220784) is [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol is COc1ccc(N2CC[C@@H](c3ccc(F)cc3)[C@H](CO)C2)cc1.
What is the InChIKey of [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol?
The InChIKey is VLCYBTCNRLWXDY-KXBFYZLASA-N. The full InChI is InChI=1S/C19H22FNO2/c1-23-18-8-6-17(7-9-18)21-11-10-19(15(12-21)13-22)14-2-4-16(20)5-3-14/h2-9,15,19,22H,10-13H2,1H3/t15-,19-/m0/s1.
What are the key properties of [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol?
[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol has a molecular weight of 315.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 11220784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).