1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride

C18H35ClN2O — CID 120817383

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
SMILESCC1CC(CC(=O)N2CCC(N)C(C)(C)C2)CC(C)(C)C1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-13-8-14(11-17(2,3)10-13)9-16(21)20-7-6-15(19)18(4,5)12-20;/h13-15H,6-12,19H2,1-5H3;1H
InChIKeyGFKBNWMPDLVKRP-UHFFFAOYSA-N
MW330.94 g/mol
LogP3.85
Rot. Bonds2

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride (PubChem CID 120817383) has the molecular formula C18H35ClN2O and a molecular weight of 330.94 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
PubChem CID120817383
Molecular FormulaC18H35ClN2O
Molecular Weight330.94 g/mol
Exact Mass330.24
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
SMILESCC1CC(CC(=O)N2CCC(N)C(C)(C)C2)CC(C)(C)C1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-13-8-14(11-17(2,3)10-13)9-16(21)20-7-6-15(19)18(4,5)12-20;/h13-15H,6-12,19H2,1-5H3;1H
InChIKeyGFKBNWMPDLVKRP-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)ethanone
CID 120820005
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115276675
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119639407
1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone
CID 97316657
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119580837
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119493806
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone
CID 119580838
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 120814805
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3,3-dimethylpentan-1-one;hydrochloride
CID 120819086
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride (CID 120817383) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride is CC1CC(CC(=O)N2CCC(N)C(C)(C)C2)CC(C)(C)C1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
The InChIKey is GFKBNWMPDLVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O.ClH/c1-13-8-14(11-17(2,3)10-13)9-16(21)20-7-6-15(19)18(4,5)12-20;/h13-15H,6-12,19H2,1-5H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride has a molecular weight of 330.94 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride is sourced from PubChem (CID 120817383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).