3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol

C10H22N2O2 — CID 82849763

IUPAC3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
SMILESCC1CCCC(CN)N1CC(O)CO
InChIInChI=1S/C10H22N2O2/c1-8-3-2-4-9(5-11)12(8)6-10(14)7-13/h8-10,13-14H,2-7,11H2,1H3
InChIKeyAUHWLCMWDOOEGS-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.46
Rot. Bonds4

About 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol

3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol (PubChem CID 82849763) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
PubChem CID82849763
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
SMILESCC1CCCC(CN)N1CC(O)CO
InChIInChI=1S/C10H22N2O2/c1-8-3-2-4-9(5-11)12(8)6-10(14)7-13/h8-10,13-14H,2-7,11H2,1H3
InChIKeyAUHWLCMWDOOEGS-UHFFFAOYSA-N
XLogP-0.46
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 130492440
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
CID 114496475
[1-(3,3-dimethylbutyl)-6-methylpiperidin-2-yl]methanamine
CID 63555053
[6-methyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64565715
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol
CID 104968497
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
CID 104967716
methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 113436609
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185
[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
CID 106725692

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol (CID 82849763) is 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol is CC1CCCC(CN)N1CC(O)CO.
What is the InChIKey of 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol?
The InChIKey is AUHWLCMWDOOEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8-3-2-4-9(5-11)12(8)6-10(14)7-13/h8-10,13-14H,2-7,11H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol?
3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol has a molecular weight of 202.30 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 82849763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).