3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one

C14H28N2O — CID 119546978

IUPAC3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
SMILESCNCC1CCN(C(=O)CC(C)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)12(3)9-14(17)16-7-5-13(6-8-16)10-15-4/h11-13,15H,5-10H2,1-4H3
InChIKeyOLOLFCUFXOMZOE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.13
Rot. Bonds5

About 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one

3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one (PubChem CID 119546978) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
PubChem CID119546978
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
SMILESCNCC1CCN(C(=O)CC(C)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)12(3)9-14(17)16-7-5-13(6-8-16)10-15-4/h11-13,15H,5-10H2,1-4H3
InChIKeyOLOLFCUFXOMZOE-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119543512
2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119543962
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
2-(diethylamino)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119543010
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(2-methylphenyl)butan-1-one;hydrochloride
CID 119543597
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119546517
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119544189

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one (CID 119546978) is 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one is CNCC1CCN(C(=O)CC(C)C(C)C)CC1.
What is the InChIKey of 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is OLOLFCUFXOMZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)12(3)9-14(17)16-7-5-13(6-8-16)10-15-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 119546978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).