2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride

C15H31ClN2O — CID 119544266

IUPAC2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)C(C)(C)CC(C)C)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(2)10-15(3,4)14(18)17-8-6-13(7-9-17)11-16-5;/h12-13,16H,6-11H2,1-5H3;1H
InChIKeySMANNMFSAAWJRR-UHFFFAOYSA-N
MW290.88 g/mol
LogP2.94
Rot. Bonds5

About 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride

2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119544266) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride
PubChem CID119544266
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)C(C)(C)CC(C)C)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(2)10-15(3,4)14(18)17-8-6-13(7-9-17)11-16-5;/h12-13,16H,6-11H2,1-5H3;1H
InChIKeySMANNMFSAAWJRR-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119544267
1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one
CID 111970406
N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide
CID 170031556
2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119543962
2,2,4-trimethyl-1-[3-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119489879
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119546517

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride (CID 119544266) is 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride is CNCC1CCN(C(=O)C(C)(C)CC(C)C)CC1.Cl.
What is the InChIKey of 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is SMANNMFSAAWJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-12(2)10-15(3,4)14(18)17-8-6-13(7-9-17)11-16-5;/h12-13,16H,6-11H2,1-5H3;1H.
What are the key properties of 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride?
2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119544266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).