2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one

C14H28N2O2 — CID 75494909

IUPAC2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCOCC1CCN(C(=O)C(CN)CC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)8-13(9-15)14(17)16-6-4-12(5-7-16)10-18-3/h11-13H,4-10,15H2,1-3H3
InChIKeyULIRZTWDKHWVBZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.49
Rot. Bonds6

About 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one

2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 75494909) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
PubChem CID75494909
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCOCC1CCN(C(=O)C(CN)CC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)8-13(9-15)14(17)16-6-4-12(5-7-16)10-18-3/h11-13H,4-10,15H2,1-3H3
InChIKeyULIRZTWDKHWVBZ-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(methylcarbamoyl)piperidine-1-carboxylate
CID 72023059
1-(2,2-Dimethylpropanoyl)-N-methyl-3-piperidinecarboxamide
CID 47406835
Cambridge id 6577885
CID 2186986
1-[4-(Methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 63979007
(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
3-Piperidinecarboxamide, 1-(1-oxo-2-propylpentyl)-
CID 177373
3-(Aminomethyl)-1-ethylpiperidin-2-one
CID 83635455
N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 18071874
N-(2-Methoxyethyl)piperidine-3-carboxamide
CID 18072310
1-acetyl-N-methylpiperidine-3-carboxamide
CID 20614111
Methyl 3-carbamoylpiperidine-1-carboxylate
CID 20628073
1-Propanoylpiperidine-3-carboxamide
CID 20745845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one (CID 75494909) is 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one is COCC1CCN(C(=O)C(CN)CC(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is ULIRZTWDKHWVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)8-13(9-15)14(17)16-6-4-12(5-7-16)10-18-3/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 75494909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).