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

C12H23ClN2O — CID 119592406

IUPAC(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2(C)CCC2)CCC1N.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-9-8-14(7-4-10(9)13)11(15)12(2)5-3-6-12;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyKOVLHCGEXCYTSH-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.79
Rot. Bonds1

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

(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride (PubChem CID 119592406) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride
PubChem CID119592406
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2(C)CCC2)CCC1N.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-9-8-14(7-4-10(9)13)11(15)12(2)5-3-6-12;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyKOVLHCGEXCYTSH-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828121
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106829116
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
[4-(methylamino)piperidin-1-yl]-(1-methylcyclobutyl)methanone
CID 119561901
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride (CID 119592406) is (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride is CC1CN(C(=O)C2(C)CCC2)CCC1N.Cl.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride?
The InChIKey is KOVLHCGEXCYTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-9-8-14(7-4-10(9)13)11(15)12(2)5-3-6-12;/h9-10H,3-8,13H2,1-2H3;1H.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride?
(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 119592406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).