(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone

C17H25NO2 — CID 116568498

IUPAC(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
SMILESCCC1(C(=O)c2ccccc2OC(C)C)CCCNC1
InChIInChI=1S/C17H25NO2/c1-4-17(10-7-11-18-12-17)16(19)14-8-5-6-9-15(14)20-13(2)3/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3
InChIKeyYSEATWGACYTNLZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.44
Rot. Bonds5

About (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone

(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone (PubChem CID 116568498) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
PubChem CID116568498
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
SMILESCCC1(C(=O)c2ccccc2OC(C)C)CCCNC1
InChIInChI=1S/C17H25NO2/c1-4-17(10-7-11-18-12-17)16(19)14-8-5-6-9-15(14)20-13(2)3/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3
InChIKeyYSEATWGACYTNLZ-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone
CID 116600547
(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568555
(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
CID 104610131
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
(2-fluorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569677
(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568591
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116568738
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone
CID 116547957

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone (CID 116568498) is (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone is CCC1(C(=O)c2ccccc2OC(C)C)CCCNC1.
What is the InChIKey of (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is YSEATWGACYTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-17(10-7-11-18-12-17)16(19)14-8-5-6-9-15(14)20-13(2)3/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3.
What are the key properties of (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone?
(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116568498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).