(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride

C12H19ClN2O2 — CID 119378232

IUPAC(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCCC(N)C2)o1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8-6-9(2)16-11(8)12(15)14-5-3-4-10(13)7-14;/h6,10H,3-5,7,13H2,1-2H3;1H
InChIKeyCQVQMIDHNNXUTC-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.88
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride (PubChem CID 119378232) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
PubChem CID119378232
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCCC(N)C2)o1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8-6-9(2)16-11(8)12(15)14-5-3-4-10(13)7-14;/h6,10H,3-5,7,13H2,1-2H3;1H
InChIKeyCQVQMIDHNNXUTC-UHFFFAOYSA-N
XLogP1.88
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
CID 119373769
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
tert-butyl N-[(3R)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]carbamate
CID 99832684
N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26321541
N-[[1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 45229284
3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
CID 171710974
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400963
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride (CID 119378232) is (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride is Cc1cc(C)c(C(=O)N2CCCC(N)C2)o1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
The InChIKey is CQVQMIDHNNXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-8-6-9(2)16-11(8)12(15)14-5-3-4-10(13)7-14;/h6,10H,3-5,7,13H2,1-2H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119378232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).