[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone

C26H26FNO2 — CID 25446173

IUPAC[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C26H26FNO2/c27-24-11-5-9-22(17-24)21-8-4-10-23(16-21)25(30)28-14-12-26(19-29,13-15-28)18-20-6-2-1-3-7-20/h1-11,16-17,29H,12-15,18-19H2
InChIKeyLPYPBOOHGZZFQU-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.95
Rot. Bonds5

About [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone

[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone (PubChem CID 25446173) 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]-[3-(3-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone
PubChem CID25446173
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C26H26FNO2/c27-24-11-5-9-22(17-24)21-8-4-10-23(16-21)25(30)28-14-12-26(19-29,13-15-28)18-20-6-2-1-3-7-20/h1-11,16-17,29H,12-15,18-19H2
InChIKeyLPYPBOOHGZZFQU-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

1-[4-(3,5-Ditert-butylbenzoyl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
CID 10054114
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
1-(3-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)ethanone
CID 16191336
2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 709759
1-[4-({4-(Hydroxymethyl)-4-[3-(trifluoromethyl)benzyl]piperidin-1-yl}carbonyl)phenyl]ethanone
CID 16191531
[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 24791376
{3-(2-Fluorobenzyl)-1-[(3'-methyl-2-biphenylyl)carbonyl]-3-piperidinyl}methanol
CID 45187271
[2-Benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](2-fluorophenyl)methanone
CID 91924989
4-[(4-Fluorophenyl)methyl]-9-(3-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053246
[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70685777
1-(3-{[4-Benzyl-4-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)ethanone
CID 16191416
N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 27448775

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone?
The IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone (CID 25446173) is [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone.
What is the SMILES notation for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone?
The canonical SMILES for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone is O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(CO)(Cc2ccccc2)CC1.
What is the InChIKey of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone?
The InChIKey is LPYPBOOHGZZFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO2/c27-24-11-5-9-22(17-24)21-8-4-10-23(16-21)25(30)28-14-12-26(19-29,13-15-28)18-20-6-2-1-3-7-20/h1-11,16-17,29H,12-15,18-19H2.
What are the key properties of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)phenyl]methanone?
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[3-(3-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]-[3-(3-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 25446173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).