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

C13H26N2O — CID 114875598

IUPAC3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
SMILESCCC(C)CC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)9-13(16)15-7-5-12(6-8-15)10-14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyZVIICVNSAVLYJO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds5

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

3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one (PubChem CID 114875598) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
PubChem CID114875598
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
SMILESCCC(C)CC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C13H26N2O/c1-4-11(2)9-13(16)15-7-5-12(6-8-15)10-14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyZVIICVNSAVLYJO-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 114875391
3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119396913
2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
CID 114873775
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119543512
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
2-(diethylamino)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119543010
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one (CID 114875598) is 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one is CCC(C)CC(=O)N1CCC(CNC)CC1.
What is the InChIKey of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is ZVIICVNSAVLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11(2)9-13(16)15-7-5-12(6-8-15)10-14-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one?
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 114875598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).