1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone

C10H19NO3 — CID 102032429

IUPAC1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
SMILESCOC(OC)[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C10H19NO3/c1-8(12)11-7-5-4-6-9(11)10(13-2)14-3/h9-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyVHKDNYWCYLIXRW-VIFPVBQESA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds3

About 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone

1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 102032429) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
PubChem CID102032429
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone
SMILESCOC(OC)[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C10H19NO3/c1-8(12)11-7-5-4-6-9(11)10(13-2)14-3/h9-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyVHKDNYWCYLIXRW-VIFPVBQESA-N
XLogP1.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
CID 90936720
[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone
CID 44540070
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-(2-hydroxypiperidin-1-yl)ethanone
CID 70448488
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405
[(2S)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-2-yl]-[(2S)-2-(dimethoxymethyl)pyrrolidin-1-yl]methanone
CID 22852923
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
(1-acetylpiperidin-2-yl) 3-methyl-2-propan-2-ylbut-2-enoate
CID 139760779
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
1-[(2R)-2-(1-bromo-2-hydroxyprop-2-enyl)pyrrolidin-1-yl]ethanone
CID 163737120

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone (CID 102032429) is 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone is COC(OC)[C@@H]1CCCCN1C(C)=O.
What is the InChIKey of 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is VHKDNYWCYLIXRW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(12)11-7-5-4-6-9(11)10(13-2)14-3/h9-10H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone?
1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 201.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 102032429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).