1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone

C16H23NO2 — CID 110738619

IUPAC1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-13-4-6-14(7-5-13)19-12-15(18)17-10-8-16(2,3)9-11-17/h4-7H,8-12H2,1-3H3
InChIKeySCLYQAJTYRFWQZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds3

About 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone

1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 110738619) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
PubChem CID110738619
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-13-4-6-14(7-5-13)19-12-15(18)17-10-8-16(2,3)9-11-17/h4-7H,8-12H2,1-3H3
InChIKeySCLYQAJTYRFWQZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
4-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 62931802
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 136522002
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methylphenoxy)ethanone
CID 163309558
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 110409373
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453
4-chloro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108569907

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone (CID 110738619) is 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(C)(C)CC2)cc1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is SCLYQAJTYRFWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-4-6-14(7-5-13)19-12-15(18)17-10-8-16(2,3)9-11-17/h4-7H,8-12H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 110738619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).