1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one

C24H31NO2 — CID 12741873

IUPAC1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
SMILESCCC(=O)C(c1ccccc1OC)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H31NO2/c1-3-22(26)24(21-11-7-8-12-23(21)27-2)20-14-17-25(18-15-20)16-13-19-9-5-4-6-10-19/h4-12,20,24H,3,13-18H2,1-2H3
InChIKeyBOOWLORNWNUTJZ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.71
Rot. Bonds8

About 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one

1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one (PubChem CID 12741873) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
PubChem CID12741873
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
SMILESCCC(=O)C(c1ccccc1OC)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H31NO2/c1-3-22(26)24(21-11-7-8-12-23(21)27-2)20-14-17-25(18-15-20)16-13-19-9-5-4-6-10-19/h4-12,20,24H,3,13-18H2,1-2H3
InChIKeyBOOWLORNWNUTJZ-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
N-[3-(2-methoxyphenyl)pentan-3-yl]-1-(2-phenylethyl)piperidine-4-carboxamide
CID 54751790
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
N-(4-hydroxy-2-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 12741859
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-6-methoxybenzaldehyde
CID 59915472
[(S)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl] butanoate
CID 11080742
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one (CID 12741873) is 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one is CCC(=O)C(c1ccccc1OC)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The InChIKey is BOOWLORNWNUTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-3-22(26)24(21-11-7-8-12-23(21)27-2)20-14-17-25(18-15-20)16-13-19-9-5-4-6-10-19/h4-12,20,24H,3,13-18H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one has a molecular weight of 365.52 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one is sourced from PubChem (CID 12741873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).