(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol

C21H26FNO2 — CID 133119318

IUPAC(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
SMILESCOc1ccc(F)cc1CN1CC[C@](C)(O)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C21H26FNO2/c1-21(24)10-11-23(14-17-13-19(22)8-9-20(17)25-2)15-18(21)12-16-6-4-3-5-7-16/h3-9,13,18,24H,10-12,14-15H2,1-2H3/t18-,21+/m1/s1
InChIKeyDIQDSIDFAIXPSN-NQIIRXRSSA-N
MW343.44 g/mol
LogP3.65
Rot. Bonds5

About (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol

(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol (PubChem CID 133119318) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
PubChem CID133119318
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
SMILESCOc1ccc(F)cc1CN1CC[C@](C)(O)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C21H26FNO2/c1-21(24)10-11-23(14-17-13-19(22)8-9-20(17)25-2)15-18(21)12-16-6-4-3-5-7-16/h3-9,13,18,24H,10-12,14-15H2,1-2H3/t18-,21+/m1/s1
InChIKeyDIQDSIDFAIXPSN-NQIIRXRSSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
CID 56752836
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
CID 70717089
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 63126703
(3R,4S)-3-benzyl-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 133111175
1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56884415
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
CID 112802116

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol (CID 133119318) is (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol is COc1ccc(F)cc1CN1CC[C@](C)(O)[C@H](Cc2ccccc2)C1.
What is the InChIKey of (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is DIQDSIDFAIXPSN-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-21(24)10-11-23(14-17-13-19(22)8-9-20(17)25-2)15-18(21)12-16-6-4-3-5-7-16/h3-9,13,18,24H,10-12,14-15H2,1-2H3/t18-,21+/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol?
(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 343.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 133119318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).