4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one

C19H29NO2 — CID 18626324

IUPAC4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
SMILESCCC1(OC)CCN(CCCC(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H29NO2/c1-4-19(22-3)11-14-20(15-12-19)13-7-10-18(21)17-9-6-5-8-16(17)2/h5-6,8-9H,4,7,10-15H2,1-3H3
InChIKeyKOXPNRHLTFCAGW-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.85
Rot. Bonds7

About 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one

4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one (PubChem CID 18626324) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
PubChem CID18626324
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
SMILESCCC1(OC)CCN(CCCC(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H29NO2/c1-4-19(22-3)11-14-20(15-12-19)13-7-10-18(21)17-9-6-5-8-16(17)2/h5-6,8-9H,4,7,10-15H2,1-3H3
InChIKeyKOXPNRHLTFCAGW-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 18626405
3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 63482480
4-(4-butoxy-1-ethylpiperidin-4-yl)-1-(2-methylphenyl)butan-1-one
CID 18626346
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
CID 63159990
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-methylphenyl)undecan-1-one
CID 63409592
4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-(2-methylphenyl)butan-1-one
CID 97356651
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
1-[2-(aminomethyl)phenyl]-4-(4-butylpiperazin-1-yl)butan-1-one
CID 151007578
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
The IUPAC name of 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one (CID 18626324) is 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one.
What is the SMILES notation for 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
The canonical SMILES for 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one is CCC1(OC)CCN(CCCC(=O)c2ccccc2C)CC1.
What is the InChIKey of 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
The InChIKey is KOXPNRHLTFCAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-19(22-3)11-14-20(15-12-19)13-7-10-18(21)17-9-6-5-8-16(17)2/h5-6,8-9H,4,7,10-15H2,1-3H3.
What are the key properties of 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one is sourced from PubChem (CID 18626324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).