3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one

C12H24N2O2 — CID 81071725

IUPAC3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCC(OC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-10(9-13)8-12(15)14-6-4-11(16-2)5-7-14/h10-11H,3-9,13H2,1-2H3
InChIKeyFXMMALPJMDFYEB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds5

About 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one

3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one (PubChem CID 81071725) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
PubChem CID81071725
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCC(OC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-10(9-13)8-12(15)14-6-4-11(16-2)5-7-14/h10-11H,3-9,13H2,1-2H3
InChIKeyFXMMALPJMDFYEB-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
CID 81087190
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103532824
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one (CID 81071725) is 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one is CCC(CN)CC(=O)N1CCC(OC)CC1.
What is the InChIKey of 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one?
The InChIKey is FXMMALPJMDFYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(9-13)8-12(15)14-6-4-11(16-2)5-7-14/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one?
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 81071725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).