[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone

C26H26FNO2 — CID 25371442

IUPAC[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(F)cc1)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C26H26FNO2/c27-22-12-10-21(11-13-22)23-8-4-5-9-24(23)25(30)28-16-14-26(19-29,15-17-28)18-20-6-2-1-3-7-20/h1-13,29H,14-19H2
InChIKeyKXFRFKNCZYIFOK-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.95
Rot. Bonds5

About [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone

[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone (PubChem CID 25371442) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone
PubChem CID25371442
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(F)cc1)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C26H26FNO2/c27-22-12-10-21(11-13-22)23-8-4-5-9-24(23)25(30)28-16-14-26(19-29,15-17-28)18-20-6-2-1-3-7-20/h1-13,29H,14-19H2
InChIKeyKXFRFKNCZYIFOK-UHFFFAOYSA-N
XLogP4.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
(5R)-3-[(4-fluorophenyl)methyl]-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459136
tert-butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 59367830
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
CID 169435400
(8-chloroquinolin-5-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 154838598
[4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylphenyl)methanone
CID 45269377
butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 118310148
4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 91084745
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 42191937
2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 55678885
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone?
The IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone (CID 25371442) is [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone.
What is the SMILES notation for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone?
The canonical SMILES for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone is O=C(c1ccccc1-c1ccc(F)cc1)N1CCC(CO)(Cc2ccccc2)CC1.
What is the InChIKey of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone?
The InChIKey is KXFRFKNCZYIFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO2/c27-22-12-10-21(11-13-22)23-8-4-5-9-24(23)25(30)28-16-14-26(19-29,15-17-28)18-20-6-2-1-3-7-20/h1-13,29H,14-19H2.
What are the key properties of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone?
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone has a molecular weight of 403.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 25371442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).