1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone

C10H19NO2 — CID 130690746

IUPAC1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@H](C)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-8-4-5-11(9(2)6-8)10(12)7-13-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyFEFIPVYMOREJET-IUCAKERBSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone

1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone (PubChem CID 130690746) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
PubChem CID130690746
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@H](C)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-8-4-5-11(9(2)6-8)10(12)7-13-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyFEFIPVYMOREJET-IUCAKERBSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one
CID 79199279
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone
CID 64676833
tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
CID 62330169
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 114221624
N,N-diethyl-2,4-dimethylpiperidine-1-carboxamide
CID 115644391
ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
CID 55061328
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 62330298

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone (CID 130690746) is 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CC[C@H](C)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone?
The InChIKey is FEFIPVYMOREJET-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-5-11(9(2)6-8)10(12)7-13-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone?
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 130690746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).