(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone

C12H17NO2 — CID 128538257

IUPAC(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccoc1
InChIInChI=1S/C12H17NO2/c1-9-4-3-5-10(2)13(9)12(14)11-6-7-15-8-11/h6-10H,3-5H2,1-2H3
InChIKeySHFSINMRSKXUDO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.68
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone (PubChem CID 128538257) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
PubChem CID128538257
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccoc1
InChIInChI=1S/C12H17NO2/c1-9-4-3-5-10(2)13(9)12(14)11-6-7-15-8-11/h6-10H,3-5H2,1-2H3
InChIKeySHFSINMRSKXUDO-UHFFFAOYSA-N
XLogP2.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6932219
(2-bromo-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755682
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1-methylpyridin-1-ium-3-yl)methanone iodide
CID 139055719
6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone
CID 114971785
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
CID 7379850
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107036490

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone (CID 128538257) is (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone is CC1CCCC(C)N1C(=O)c1ccoc1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone?
The InChIKey is SHFSINMRSKXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-3-5-10(2)13(9)12(14)11-6-7-15-8-11/h6-10H,3-5H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone has a molecular weight of 207.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 128538257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).