1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one

C19H29NO2 — CID 110420722

IUPAC1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCc1cccc(OC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29NO2/c1-5-15-7-6-8-17(13-15)22-16-9-11-20(12-10-16)18(21)14-19(2,3)4/h6-8,13,16H,5,9-12,14H2,1-4H3
InChIKeyNUMQSTJSGBMBGJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.05
Rot. Bonds4

About 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 110420722) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID110420722
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCc1cccc(OC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29NO2/c1-5-15-7-6-8-17(13-15)22-16-9-11-20(12-10-16)18(21)14-19(2,3)4/h6-8,13,16H,5,9-12,14H2,1-4H3
InChIKeyNUMQSTJSGBMBGJ-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110611191
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
(3-ethylphenoxy)cyclooctane
CID 91220327
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
3-[3-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine
CID 137435425
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 110420722) is 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one is CCc1cccc(OC2CCN(C(=O)CC(C)(C)C)CC2)c1.
What is the InChIKey of 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is NUMQSTJSGBMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-5-15-7-6-8-17(13-15)22-16-9-11-20(12-10-16)18(21)14-19(2,3)4/h6-8,13,16H,5,9-12,14H2,1-4H3.
What are the key properties of 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 110420722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).