3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol

C13H28N2O — CID 114496475

IUPAC3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1C(C)CCCC1CN
InChIInChI=1S/C13H28N2O/c1-4-13(16,5-2)10-15-11(3)7-6-8-12(15)9-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeyOXXCYIXHHOSXEW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.74
Rot. Bonds5

About 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol

3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol (PubChem CID 114496475) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
PubChem CID114496475
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1C(C)CCCC1CN
InChIInChI=1S/C13H28N2O/c1-4-13(16,5-2)10-15-11(3)7-6-8-12(15)9-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeyOXXCYIXHHOSXEW-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol with MolForge

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Related Compounds

methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 113436609
[1-(3,3-dimethylbutyl)-6-methylpiperidin-2-yl]methanamine
CID 63555053
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
[6-methyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64565715
3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
CID 82849763
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropan-2-ol
CID 131140899
[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
CID 106725692
3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol
CID 114496466
1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 104969021
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one
CID 114106030
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylpiperidin-2-yl]methanamine
CID 79228319

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol (CID 114496475) is 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1C(C)CCCC1CN.
What is the InChIKey of 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol?
The InChIKey is OXXCYIXHHOSXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(16,5-2)10-15-11(3)7-6-8-12(15)9-14/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol?
3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 114496475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).