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

C16H23NO2 — CID 110603192

IUPAC1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cccc(CC)c2)CC1
InChIInChI=1S/C16H23NO2/c1-3-13-6-5-7-15(12-13)19-14-8-10-17(11-9-14)16(18)4-2/h5-7,12,14H,3-4,8-11H2,1-2H3
InChIKeyBGSQKHBILXAVTR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds4

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

1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one (PubChem CID 110603192) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
PubChem CID110603192
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cccc(CC)c2)CC1
InChIInChI=1S/C16H23NO2/c1-3-13-6-5-7-15(12-13)19-14-8-10-17(11-9-14)16(18)4-2/h5-7,12,14H,3-4,8-11H2,1-2H3
InChIKeyBGSQKHBILXAVTR-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110611191
(3-ethylphenoxy)cyclooctane
CID 91220327
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
ethyl 2-(3-cyclopropyloxyphenyl)acetate
CID 114522675
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one (CID 110603192) is 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Oc2cccc(CC)c2)CC1.
What is the InChIKey of 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one?
The InChIKey is BGSQKHBILXAVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-6-5-7-15(12-13)19-14-8-10-17(11-9-14)16(18)4-2/h5-7,12,14H,3-4,8-11H2,1-2H3.
What are the key properties of 1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one?
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.03, 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]propan-1-one is sourced from PubChem (CID 110603192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).