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

C12H23ClN2O — CID 119488548

IUPAC2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)CC2CCC2)C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-11-6-3-7-14(9-11)12(15)8-10-4-2-5-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyZTFXIPJMHQPWRJ-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.81
Rot. Bonds3

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

2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119488548) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119488548
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)CC2CCC2)C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-11-6-3-7-14(9-11)12(15)8-10-4-2-5-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyZTFXIPJMHQPWRJ-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
CID 119489417
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
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
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
2-tert-butylsulfanyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493378
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119488548) is 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCCN(C(=O)CC2CCC2)C1.Cl.
What is the InChIKey of 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is ZTFXIPJMHQPWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-13-11-6-3-7-14(9-11)12(15)8-10-4-2-5-10;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119488548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).