1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride

C18H29ClN2O — CID 119920332

IUPAC1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
SMILESCNC1CCCN(Cc2c(C)cc(C)c(C(C)=O)c2C)C1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-12-9-13(2)18(15(4)21)14(3)17(12)11-20-8-6-7-16(10-20)19-5;/h9,16,19H,6-8,10-11H2,1-5H3;1H
InChIKeyOTULLDNASIISTA-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.42
Rot. Bonds4

About 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride

1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride (PubChem CID 119920332) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
PubChem CID119920332
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
SMILESCNC1CCCN(Cc2c(C)cc(C)c(C(C)=O)c2C)C1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-12-9-13(2)18(15(4)21)14(3)17(12)11-20-8-6-7-16(10-20)19-5;/h9,16,19H,6-8,10-11H2,1-5H3;1H
InChIKeyOTULLDNASIISTA-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-acetyl-1,4-diazepan-1-yl)methyl]-2,4,6-trimethylphenyl]ethanone
CID 30760359
N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide
CID 77080451
1-[3-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]-2,4,6-trimethylphenyl]ethanone
CID 75436645
3-bromo-1-[(2,4,6-trimethylphenyl)methyl]piperidine
CID 80680558
2-[[2-[3-(methylamino)piperidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119918211
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919356
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-methyl-1-[(3-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119918159
N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide
CID 97259531
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 103186282
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride (CID 119920332) is 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride is CNC1CCCN(Cc2c(C)cc(C)c(C(C)=O)c2C)C1.Cl.
What is the InChIKey of 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
The InChIKey is OTULLDNASIISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-12-9-13(2)18(15(4)21)14(3)17(12)11-20-8-6-7-16(10-20)19-5;/h9,16,19H,6-8,10-11H2,1-5H3;1H.
What are the key properties of 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride?
1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 119920332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).