2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one

C25H32FNO2 — CID 68957934

IUPAC2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one
SMILESCC(C)C(COCc1ccccc1)C(C(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H32FNO2/c1-19(2)23(18-29-17-20-9-5-3-6-10-20)24(21-11-13-22(26)14-12-21)25(28)27-15-7-4-8-16-27/h3,5-6,9-14,19,23-24H,4,7-8,15-18H2,1-2H3
InChIKeyMQAXWDJCGKIMSI-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.41
Rot. Bonds8

About 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one

2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one (PubChem CID 68957934) has the molecular formula C25H32FNO2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one
PubChem CID68957934
Molecular FormulaC25H32FNO2
Molecular Weight397.53 g/mol
Exact Mass397.24
IUPAC Name2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one
SMILESCC(C)C(COCc1ccccc1)C(C(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H32FNO2/c1-19(2)23(18-29-17-20-9-5-3-6-10-20)24(21-11-13-22(26)14-12-21)25(28)27-15-7-4-8-16-27/h3,5-6,9-14,19,23-24H,4,7-8,15-18H2,1-2H3
InChIKeyMQAXWDJCGKIMSI-UHFFFAOYSA-N
XLogP5.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
(2R)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-methyl-3-phenylmethoxypropan-1-one
CID 95346467
(2S)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-methyl-3-phenylmethoxypropan-1-one
CID 95346465
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
(2S)-3-phenylmethoxy-2-piperidin-1-ylpropanoic acid;hydrate
CID 158256817
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
N-[3-[(4-fluorophenyl)methoxy]-2-phenylpropyl]-1-methylpiperidine-4-carboxamide
CID 67197202
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
benzyl piperidine-1-carboxylate
CID 158057698

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one (CID 68957934) is 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one is CC(C)C(COCc1ccccc1)C(C(=O)N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one?
The InChIKey is MQAXWDJCGKIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO2/c1-19(2)23(18-29-17-20-9-5-3-6-10-20)24(21-11-13-22(26)14-12-21)25(28)27-15-7-4-8-16-27/h3,5-6,9-14,19,23-24H,4,7-8,15-18H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one?
2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one has a molecular weight of 397.53 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-3-(phenylmethoxymethyl)-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 68957934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).