1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one

C17H25NO2 — CID 2930941

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
SMILESCCC(Oc1ccccc1)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C17H25NO2/c1-4-16(20-15-8-6-5-7-9-15)17(19)18-11-13(2)10-14(3)12-18/h5-9,13-14,16H,4,10-12H2,1-3H3
InChIKeyQVTVKEFYVDNCRZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.35
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one (PubChem CID 2930941) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
PubChem CID2930941
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
SMILESCCC(Oc1ccccc1)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C17H25NO2/c1-4-16(20-15-8-6-5-7-9-15)17(19)18-11-13(2)10-14(3)12-18/h5-9,13-14,16H,4,10-12H2,1-3H3
InChIKeyQVTVKEFYVDNCRZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-phenoxybutan-1-one
CID 79410096
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid
CID 61152823
(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 92674448
1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 43092200
1-[2-(hydroxymethyl)piperidin-1-yl]-2-phenoxybutan-1-one
CID 42891022
(2S)-2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 28579047
2-(4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 44782482
2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 6085432
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenoxybutan-1-one
CID 2930993

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one (CID 2930941) is 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one is CCC(Oc1ccccc1)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one?
The InChIKey is QVTVKEFYVDNCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-16(20-15-8-6-5-7-9-15)17(19)18-11-13(2)10-14(3)12-18/h5-9,13-14,16H,4,10-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one is sourced from PubChem (CID 2930941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).