(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride

C11H21ClN2O2 — CID 119376824

IUPAC(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
SMILESCCOC1CC1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-2-15-10-7-9(10)11(14)13-5-3-8(12)4-6-13;/h8-10H,2-7,12H2,1H3;1H
InChIKeyLKPUBBGLSCDDJC-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.78
Rot. Bonds3

About (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride (PubChem CID 119376824) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
PubChem CID119376824
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
SMILESCCOC1CC1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-2-15-10-7-9(10)11(14)13-5-3-8(12)4-6-13;/h8-10H,2-7,12H2,1H3;1H
InChIKeyLKPUBBGLSCDDJC-UHFFFAOYSA-N
XLogP0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 129414775
(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580771
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
CID 119374175
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119374902
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 82237534
[(1R,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95178681

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride (CID 119376824) is (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride is CCOC1CC1C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride?
The InChIKey is LKPUBBGLSCDDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-2-15-10-7-9(10)11(14)13-5-3-8(12)4-6-13;/h8-10H,2-7,12H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119376824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).