3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol

C13H28N2O2 — CID 82844673

IUPAC3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
SMILESCC(C)CNCC1CCCCN1CC(O)CO
InChIInChI=1S/C13H28N2O2/c1-11(2)7-14-8-12-5-3-4-6-15(12)9-13(17)10-16/h11-14,16-17H,3-10H2,1-2H3
InChIKeyVVNBTLBSIFPCIM-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.44
Rot. Bonds7

About 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol

3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol (PubChem CID 82844673) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
PubChem CID82844673
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
SMILESCC(C)CNCC1CCCCN1CC(O)CO
InChIInChI=1S/C13H28N2O2/c1-11(2)7-14-8-12-5-3-4-6-15(12)9-13(17)10-16/h11-14,16-17H,3-10H2,1-2H3
InChIKeyVVNBTLBSIFPCIM-UHFFFAOYSA-N
XLogP0.44
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579838
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
CID 82851116
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol (CID 82844673) is 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol is CC(C)CNCC1CCCCN1CC(O)CO.
What is the InChIKey of 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol?
The InChIKey is VVNBTLBSIFPCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)7-14-8-12-5-3-4-6-15(12)9-13(17)10-16/h11-14,16-17H,3-10H2,1-2H3.
What are the key properties of 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol?
3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol has a molecular weight of 244.38 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 82844673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).