1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one

C17H25NO2 — CID 110357762

IUPAC1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(OC)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-3-7-16(19)18-12-10-15(11-13-18)17(20-2)14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3
InChIKeyHZYWKKAAUADPCQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 110357762) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
PubChem CID110357762
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(OC)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-3-7-16(19)18-12-10-15(11-13-18)17(20-2)14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3
InChIKeyHZYWKKAAUADPCQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-4-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butane-1,4-dione
CID 110607769
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356445
methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110357823
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide
CID 87025726
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one (CID 110357762) is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(C(OC)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is HZYWKKAAUADPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-7-16(19)18-12-10-15(11-13-18)17(20-2)14-8-5-4-6-9-14/h4-6,8-9,15,17H,3,7,10-13H2,1-2H3.
What are the key properties of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).