(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

C15H21NO2 — CID 669383

IUPAC(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-3-18-14-8-6-13(7-9-14)15(17)16-10-4-5-12(2)11-16/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m0/s1
InChIKeyXJNLLSORCZJKTE-LBPRGKRZSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds3

About (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 669383) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID669383
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-3-18-14-8-6-13(7-9-14)15(17)16-10-4-5-12(2)11-16/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m0/s1
InChIKeyXJNLLSORCZJKTE-LBPRGKRZSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20918150
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 95736821
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 134420597
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 669383) is (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC[C@H](C)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is XJNLLSORCZJKTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14-8-6-13(7-9-14)15(17)16-10-4-5-12(2)11-16/h6-9,12H,3-5,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 669383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).