(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol

C20H24FNO — CID 125487473

IUPAC(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
SMILESO[C@H](C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO/c21-18-11-9-17(10-12-18)20(23)14-19-8-4-5-13-22(19)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20,23H,4-5,8,13-15H2/t19-,20+/m0/s1
InChIKeyPRQIBUMQPFFOON-VQTJNVASSA-N
MW313.42 g/mol
LogP4.30
Rot. Bonds5

About (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol

(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 125487473) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
PubChem CID125487473
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
SMILESO[C@H](C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO/c21-18-11-9-17(10-12-18)20(23)14-19-8-4-5-13-22(19)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20,23H,4-5,8,13-15H2/t19-,20+/m0/s1
InChIKeyPRQIBUMQPFFOON-VQTJNVASSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
CID 124737079
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
CID 111858444
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141845
(1S)-1-(4-fluorophenyl)-2-[(2S)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141846
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol (CID 125487473) is (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol is O[C@H](C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is PRQIBUMQPFFOON-VQTJNVASSA-N. The full InChI is InChI=1S/C20H24FNO/c21-18-11-9-17(10-12-18)20(23)14-19-8-4-5-13-22(19)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20,23H,4-5,8,13-15H2/t19-,20+/m0/s1.
What are the key properties of (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol?
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 313.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 125487473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).