(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride

C12H23ClN2O — CID 120818837

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCC2)CCC1N.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)8-14(7-6-10(12)13)11(15)9-4-3-5-9;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyRXCQLGXKGZAFLW-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.79
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride (PubChem CID 120818837) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
PubChem CID120818837
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCC2)CCC1N.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)8-14(7-6-10(12)13)11(15)9-4-3-5-9;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyRXCQLGXKGZAFLW-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

(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 120820032
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
CID 120819844
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120820176
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120819466
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride
CID 120816101
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 120815084
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120820062
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride (CID 120818837) is (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride is CC1(C)CN(C(=O)C2CCC2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride?
The InChIKey is RXCQLGXKGZAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-12(2)8-14(7-6-10(12)13)11(15)9-4-3-5-9;/h9-10H,3-8,13H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;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-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride is sourced from PubChem (CID 120818837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).