(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride

C11H21ClN2O2 — CID 119260927

IUPAC(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2CCCO2)CCC1N.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-7-13(5-4-9(8)12)11(14)10-3-2-6-15-10;/h8-10H,2-7,12H2,1H3;1H
InChIKeyWYCFHFGIEYEJRB-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.78
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride

(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride (PubChem CID 119260927) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride
PubChem CID119260927
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2CCCO2)CCC1N.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-7-13(5-4-9(8)12)11(14)10-3-2-6-15-10;/h8-10H,2-7,12H2,1H3;1H
InChIKeyWYCFHFGIEYEJRB-UHFFFAOYSA-N
XLogP0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 103575844
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride (CID 119260927) is (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride is CC1CN(C(=O)C2CCCO2)CCC1N.Cl.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride?
The InChIKey is WYCFHFGIEYEJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-8-7-13(5-4-9(8)12)11(14)10-3-2-6-15-10;/h8-10H,2-7,12H2,1H3;1H.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride?
(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119260927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).