(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

C18H27NO3 — CID 976266

IUPAC(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OCC
InChIInChI=1S/C18H27NO3/c1-5-21-16-11-10-15(12-17(16)22-6-2)18(20)19-13(3)8-7-9-14(19)4/h10-14H,5-9H2,1-4H3/t13-,14-/m1/s1
InChIKeyOZXYXVZABLGEDX-ZIAGYGMSSA-N
MW305.42 g/mol
LogP3.89
Rot. Bonds5

About (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 976266) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID976266
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OCC
InChIInChI=1S/C18H27NO3/c1-5-21-16-11-10-15(12-17(16)22-6-2)18(20)19-13(3)8-7-9-14(19)4/h10-14H,5-9H2,1-4H3/t13-,14-/m1/s1
InChIKeyOZXYXVZABLGEDX-ZIAGYGMSSA-N
XLogP3.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
[4-(difluoromethoxy)-3-ethoxyphenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 51391414
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416204
4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-ethoxybenzonitrile
CID 11901086
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
CID 7379850

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 976266) is (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is CCOc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is OZXYXVZABLGEDX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-21-16-11-10-15(12-17(16)22-6-2)18(20)19-13(3)8-7-9-14(19)4/h10-14H,5-9H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 976266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).