1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone

C20H28F2N2O2 — CID 164641978

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(F)(F)[C@@H](CO)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H28F2N2O2/c21-20(22)8-11-23(13-18(20)15-25)14-19(26)24-9-6-17(7-10-24)12-16-4-2-1-3-5-16/h1-5,17-18,25H,6-15H2/t18-/m1/s1
InChIKeyCIAGPNFGBCIRCX-GOSISDBHSA-N
MW366.45 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 164641978) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID164641978
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(F)(F)[C@@H](CO)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H28F2N2O2/c21-20(22)8-11-23(13-18(20)15-25)14-19(26)24-9-6-17(7-10-24)12-16-4-2-1-3-5-16/h1-5,17-18,25H,6-15H2/t18-/m1/s1
InChIKeyCIAGPNFGBCIRCX-GOSISDBHSA-N
XLogP2.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

[1-(3-Butenoyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724064
[3-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)-3-piperidinyl]methanol
CID 23723355
{(3R*,5R*)-5-[(dimethylamino)methyl]-1-[(4-phenylpiperidin-1-yl)acetyl]piperidin-3-yl}methanol
CID 70784337
2-[4-(4-Fluorophenyl)piperidin-1-YL]-1-(piperidin-1-YL)ethanone
CID 16674603
[1-(1-Azepanylacetyl)-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 45202803
2-[4-(2-Fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95802787
1-[(4S)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 11288184
4,4-Difluoro-5-[4-(2-phenylpropyl)piperazin-1-yl]pentan-1-ol
CID 21830864
4,4-difluoro-5-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]pentan-1-ol
CID 54074442
1-[(3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 59036859
2,2,2-trifluoro-1-[(3R,4S)-4-(3-fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 59178577
Rel-[(3r,4s)-4-phenyl-1-(trifluoroacetyl)piperidin-3-yl]methanol
CID 59178663

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 164641978) is 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(F)(F)[C@@H](CO)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is CIAGPNFGBCIRCX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c21-20(22)8-11-23(13-18(20)15-25)14-19(26)24-9-6-17(7-10-24)12-16-4-2-1-3-5-16/h1-5,17-18,25H,6-15H2/t18-/m1/s1.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 366.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(3R)-4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 164641978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).