1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride

C17H33ClN2O — CID 119493806

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)CC2CC(C)CC(C)(C)C2)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13-8-14(11-17(2,3)10-13)9-16(20)19-7-5-6-15(12-19)18-4;/h13-15,18H,5-12H2,1-4H3;1H
InChIKeyJLYQTJUXIKNMAT-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.47
Rot. Bonds3

About 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride

1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride (PubChem CID 119493806) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
PubChem CID119493806
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)CC2CC(C)CC(C)(C)C2)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13-8-14(11-17(2,3)10-13)9-16(20)19-7-5-6-15(12-19)18-4;/h13-15,18H,5-12H2,1-4H3;1H
InChIKeyJLYQTJUXIKNMAT-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.47
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
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119580837
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119639407
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone
CID 119580838
1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
CID 119489417
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 120817383
1-[(3R)-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]ethanone
CID 99846130
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
CID 119380103
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride (CID 119493806) is 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride is CNC1CCCN(C(=O)CC2CC(C)CC(C)(C)C2)C1.Cl.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
The InChIKey is JLYQTJUXIKNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-13-8-14(11-17(2,3)10-13)9-16(20)19-7-5-6-15(12-19)18-4;/h13-15,18H,5-12H2,1-4H3;1H.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride?
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride is sourced from PubChem (CID 119493806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).