(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone

C12H18N2O2 — CID 115269514

IUPAC(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
SMILESCC1(C)CCC(N)CN1C(=O)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-12(2)6-5-9(13)8-14(12)11(15)10-4-3-7-16-10/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyRSYPCETWMYNSJA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.62
Rot. Bonds1

About (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone

(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone (PubChem CID 115269514) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
PubChem CID115269514
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
SMILESCC1(C)CCC(N)CN1C(=O)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-12(2)6-5-9(13)8-14(12)11(15)10-4-3-7-16-10/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyRSYPCETWMYNSJA-UHFFFAOYSA-N
XLogP1.62
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
CID 110358376
(2,2-dimethyl-1,4-diazepan-1-yl)-(furan-2-yl)methanone
CID 82242304
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(1S,3R,6S,7R)-4-(furan-2-carbonyl)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
CID 98161167
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone (CID 115269514) is (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone is CC1(C)CCC(N)CN1C(=O)c1ccco1.
What is the InChIKey of (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone?
The InChIKey is RSYPCETWMYNSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2)6-5-9(13)8-14(12)11(15)10-4-3-7-16-10/h3-4,7,9H,5-6,8,13H2,1-2H3.
What are the key properties of (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone?
(5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,2-dimethylpiperidin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 115269514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).