(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one

C12H17NO2 — CID 6553776

IUPAC(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
SMILESC[C@@H]1[C@@H](C)C(=O)CCN1Cc1ccco1
InChIInChI=1S/C12H17NO2/c1-9-10(2)13(6-5-12(9)14)8-11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyJTDIADXWGUFCRY-NXEZZACHSA-N
MW207.27 g/mol
LogP2.08
Rot. Bonds2

About (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one

(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one (PubChem CID 6553776) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
PubChem CID6553776
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
SMILESC[C@@H]1[C@@H](C)C(=O)CCN1Cc1ccco1
InChIInChI=1S/C12H17NO2/c1-9-10(2)13(6-5-12(9)14)8-11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyJTDIADXWGUFCRY-NXEZZACHSA-N
XLogP2.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
CID 117022408
1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79398659
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone
CID 162400386
2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
CID 106402142
(3aR,5S,7aS)-2-(furan-2-ylmethyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2179104
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 117022057
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one?
The IUPAC name of (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one (CID 6553776) is (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one?
The canonical SMILES for (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one is C[C@@H]1[C@@H](C)C(=O)CCN1Cc1ccco1.
What is the InChIKey of (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one?
The InChIKey is JTDIADXWGUFCRY-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-10(2)13(6-5-12(9)14)8-11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one?
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one has a molecular weight of 207.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 6553776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).