1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone

C16H23NO — CID 63158711

IUPAC1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
SMILESCCC1(C)CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-4-16(3)9-11-17(12-10-16)15-7-5-14(6-8-15)13(2)18/h5-8H,4,9-12H2,1-3H3
InChIKeyIXRIHOPKYUMOQE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.91
Rot. Bonds3

About 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone

1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone (PubChem CID 63158711) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
PubChem CID63158711
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
SMILESCCC1(C)CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-4-16(3)9-11-17(12-10-16)15-7-5-14(6-8-15)13(2)18/h5-8H,4,9-12H2,1-3H3
InChIKeyIXRIHOPKYUMOQE-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
1-[2-bromo-4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 114068673
1-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]ethanone
CID 115034874
4-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 11535980
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
4-(4,4-dimethylpiperidin-1-yl)benzoic acid;ethane
CID 143852634
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbenzonitrile
CID 81282498
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
CID 61252307

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone (CID 63158711) is 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone is CCC1(C)CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is IXRIHOPKYUMOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-16(3)9-11-17(12-10-16)15-7-5-14(6-8-15)13(2)18/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone?
1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 63158711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).