2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C12H23ClN2O — CID 119560451

IUPAC2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)CC2CCC2)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-11-5-7-14(8-6-11)12(15)9-10-3-2-4-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyBIIKWEWPIBOSJA-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.81
Rot. Bonds3

About 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119560451) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119560451
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)CC2CCC2)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-11-5-7-14(8-6-11)12(15)9-10-3-2-4-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyBIIKWEWPIBOSJA-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-cyclobutyl-1-[4-(ethylamino)piperidin-1-yl]ethanone
CID 103161305
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
2-cyclobutyl-1-[3-ethyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161335
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119560451) is 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCN(C(=O)CC2CCC2)CC1.Cl.
What is the InChIKey of 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is BIIKWEWPIBOSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-13-11-5-7-14(8-6-11)12(15)9-10-3-2-4-10;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of 2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-cyclobutyl-1-[4-(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-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119560451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).