1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride

C12H23ClN2O2 — CID 119489417

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)CC2CCOC2)C1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-13-11-3-2-5-14(8-11)12(15)7-10-4-6-16-9-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyVAEKRXQJGPVJTE-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.05
Rot. Bonds3

About 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride

1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride (PubChem CID 119489417) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
PubChem CID119489417
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)CC2CCOC2)C1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-13-11-3-2-5-14(8-11)12(15)7-10-4-6-16-9-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyVAEKRXQJGPVJTE-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride with MolForge

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Related Compounds

2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 119493887
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119493806
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 176724619
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 119488084
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride (CID 119489417) is 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride is CNC1CCCN(C(=O)CC2CCOC2)C1.Cl.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
The InChIKey is VAEKRXQJGPVJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-13-11-3-2-5-14(8-11)12(15)7-10-4-6-16-9-10;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride?
1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 119489417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).