2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one

C17H25NO2 — CID 90245405

IUPAC2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
SMILESCc1ccc(OC2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-5-7-14(8-6-13)20-15-9-11-18(12-10-15)16(19)17(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyFRKYDJSUTDVXHK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds2

About 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one (PubChem CID 90245405) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
PubChem CID90245405
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
SMILESCc1ccc(OC2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-5-7-14(8-6-13)20-15-9-11-18(12-10-15)16(19)17(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyFRKYDJSUTDVXHK-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one (CID 90245405) is 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one is Cc1ccc(OC2CCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one?
The InChIKey is FRKYDJSUTDVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-5-7-14(8-6-13)20-15-9-11-18(12-10-15)16(19)17(2,3)4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90245405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).