(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

C10H22N2O — CID 130492440

IUPAC(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1C[C@@H](O)CN
InChIInChI=1S/C10H22N2O/c1-8-4-3-5-9(2)12(8)7-10(13)6-11/h8-10,13H,3-7,11H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyUSBVRCGGBVULIX-RTBKNWGFSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds3

About (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 130492440) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID130492440
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1C[C@@H](O)CN
InChIInChI=1S/C10H22N2O/c1-8-4-3-5-9(2)12(8)7-10(13)6-11/h8-10,13H,3-7,11H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyUSBVRCGGBVULIX-RTBKNWGFSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
CID 82849763
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
CID 104967794
1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane
CID 143050174
(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 124721948
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
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185
(2S)-1-(4-aminophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 7064804
(2S)-1-(4-aminophenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 7064800
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
(2R)-1-(1-adamantyloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 42584459

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (CID 130492440) is (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is CC1CCCC(C)N1C[C@@H](O)CN.
What is the InChIKey of (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is USBVRCGGBVULIX-RTBKNWGFSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-4-3-5-9(2)12(8)7-10(13)6-11/h8-10,13H,3-7,11H2,1-2H3/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 130492440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).