[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol

C21H26FNO — CID 26392732

IUPAC[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CN1CCC[C@](CO)(Cc2ccccc2F)C1
InChIInChI=1S/C21H26FNO/c1-17-7-2-3-9-19(17)14-23-12-6-11-21(15-23,16-24)13-18-8-4-5-10-20(18)22/h2-5,7-10,24H,6,11-16H2,1H3/t21-/m0/s1
InChIKeyAOGRTSVVLADOCG-NRFANRHFSA-N
MW327.44 g/mol
LogP3.95
Rot. Bonds5

About [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol

[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 26392732) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID26392732
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CN1CCC[C@](CO)(Cc2ccccc2F)C1
InChIInChI=1S/C21H26FNO/c1-17-7-2-3-9-19(17)14-23-12-6-11-21(15-23,16-24)13-18-8-4-5-10-20(18)22/h2-5,7-10,24H,6,11-16H2,1H3/t21-/m0/s1
InChIKeyAOGRTSVVLADOCG-NRFANRHFSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45189123
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436
[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45244979
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 26410395
1-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pentane-1,4-dione
CID 45176565
[1-(2,3-dihydro-1H-inden-2-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45240458
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 28954788
(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
CID 25278388
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (CID 26392732) is [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is Cc1ccccc1CN1CCC[C@](CO)(Cc2ccccc2F)C1.
What is the InChIKey of [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is AOGRTSVVLADOCG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26FNO/c1-17-7-2-3-9-19(17)14-23-12-6-11-21(15-23,16-24)13-18-8-4-5-10-20(18)22/h2-5,7-10,24H,6,11-16H2,1H3/t21-/m0/s1.
What are the key properties of [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 327.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 26392732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).