2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one

C12H24N2O2 — CID 102956889

IUPAC2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H24N2O2/c1-4-12(3,8-13)11(16)14-6-5-9(2)10(15)7-14/h9-10,15H,4-8,13H2,1-3H3
InChIKeyHKWLGMNIFCXNBK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds3

About 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one

2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one (PubChem CID 102956889) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
PubChem CID102956889
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H24N2O2/c1-4-12(3,8-13)11(16)14-6-5-9(2)10(15)7-14/h9-10,15H,4-8,13H2,1-3H3
InChIKeyHKWLGMNIFCXNBK-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 102956890
2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
CID 103531981
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103900310
2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
CID 114290751
[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957097
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867
2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one
CID 62942263
2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290621
N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
CID 102736157
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
N,N-diethyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896864

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one (CID 102956889) is 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one is CCC(C)(CN)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
The InChIKey is HKWLGMNIFCXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(3,8-13)11(16)14-6-5-9(2)10(15)7-14/h9-10,15H,4-8,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 102956889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).