[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone

C17H25NO3 — CID 95319434

IUPAC[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1
InChIInChI=1S/C17H25NO3/c1-13-6-4-7-14(2)18(13)17(19)15-8-5-9-16(12-15)21-11-10-20-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyOSCAABDFMBRQPI-ZIAGYGMSSA-N
MW291.39 g/mol
LogP3.11
Rot. Bonds5

About [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone (PubChem CID 95319434) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
PubChem CID95319434
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1
InChIInChI=1S/C17H25NO3/c1-13-6-4-7-14(2)18(13)17(19)15-8-5-9-16(12-15)21-11-10-20-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyOSCAABDFMBRQPI-ZIAGYGMSSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
(2S,3aS,7aR)-1-[3-(2-methoxyethoxy)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125132884
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014
3-[2-[(2,6-dimethylpiperidin-1-yl)amino]ethoxy]benzoic acid
CID 103261089
[3-(hydroxymethyl)-5-methylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 126818930
[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 118777000
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone (CID 95319434) is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone is COCCOc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1.
What is the InChIKey of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is OSCAABDFMBRQPI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-6-4-7-14(2)18(13)17(19)15-8-5-9-16(12-15)21-11-10-20-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone?
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 291.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 95319434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).