(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone

C21H24FNO2 — CID 25278388

IUPAC(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1C[C@]1(CO)CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H24FNO2/c1-16-5-2-3-6-18(16)13-21(15-24)11-4-12-23(14-21)20(25)17-7-9-19(22)10-8-17/h2-3,5-10,24H,4,11-15H2,1H3/t21-/m1/s1
InChIKeyCVKKPQAIYUORPA-OAQYLSRUSA-N
MW341.43 g/mol
LogP3.59
Rot. Bonds4

About (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 25278388) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
PubChem CID25278388
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1C[C@]1(CO)CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H24FNO2/c1-16-5-2-3-6-18(16)13-21(15-24)11-4-12-23(14-21)20(25)17-7-9-19(22)10-8-17/h2-3,5-10,24H,4,11-15H2,1H3/t21-/m1/s1
InChIKeyCVKKPQAIYUORPA-OAQYLSRUSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 24793137
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone
CID 110798390
1-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 45208804
[(3S)-3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(furan-3-yl)methanone
CID 42095499
1-[(3S)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42593289
1-[(3R)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42593288
1-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pentane-1,4-dione
CID 45176565
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
(4-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4742848
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 97139381
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone (CID 25278388) is (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone is Cc1ccccc1C[C@]1(CO)CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is CVKKPQAIYUORPA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-16-5-2-3-6-18(16)13-21(15-24)11-4-12-23(14-21)20(25)17-7-9-19(22)10-8-17/h2-3,5-10,24H,4,11-15H2,1H3/t21-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 25278388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).