[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride

C14H23ClN2O2 — CID 119435236

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCCCC2C(C)N)o1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-9-8-10(2)18-13(9)14(17)16-7-5-4-6-12(16)11(3)15;/h8,11-12H,4-7,15H2,1-3H3;1H
InChIKeyLIOSRTHMBWDAMK-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.66
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride (PubChem CID 119435236) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
PubChem CID119435236
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCCCC2C(C)N)o1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-9-8-10(2)18-13(9)14(17)16-7-5-4-6-12(16)11(3)15;/h8,11-12H,4-7,15H2,1-3H3;1H
InChIKeyLIOSRTHMBWDAMK-UHFFFAOYSA-N
XLogP2.66
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 81476373
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 119517710
[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 119434857
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
[2-(1-aminoethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80745111
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 119435995
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride (CID 119435236) is [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride is Cc1cc(C)c(C(=O)N2CCCCC2C(C)N)o1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
The InChIKey is LIOSRTHMBWDAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-9-8-10(2)18-13(9)14(17)16-7-5-4-6-12(16)11(3)15;/h8,11-12H,4-7,15H2,1-3H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119435236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).