2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol

C10H22N2O3 — CID 107850497

IUPAC2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)(CO)NCC1CCCCN1
InChIInChI=1S/C10H22N2O3/c13-6-10(7-14,8-15)12-5-9-3-1-2-4-11-9/h9,11-15H,1-8H2
InChIKeyDGTMMJWMVYPFRB-UHFFFAOYSA-N
MW218.30 g/mol
LogP-1.57
Rot. Bonds6

About 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol (PubChem CID 107850497) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol
PubChem CID107850497
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)(CO)NCC1CCCCN1
InChIInChI=1S/C10H22N2O3/c13-6-10(7-14,8-15)12-5-9-3-1-2-4-11-9/h9,11-15H,1-8H2
InChIKeyDGTMMJWMVYPFRB-UHFFFAOYSA-N
XLogP-1.57
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
[(2S)-azepan-2-yl]methanol
CID 870731
4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
CID 135191521
ethane;N-methyl-1-piperidin-2-ylmethanamine
CID 144727857
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
hydron;[(2R)-piperidin-2-yl]methanol;chloride
CID 67247102
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol (CID 107850497) is 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol is OCC(CO)(CO)NCC1CCCCN1.
What is the InChIKey of 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol?
The InChIKey is DGTMMJWMVYPFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c13-6-10(7-14,8-15)12-5-9-3-1-2-4-11-9/h9,11-15H,1-8H2.
What are the key properties of 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol has a molecular weight of 218.30 g/mol, XLogP of -1.57, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol is sourced from PubChem (CID 107850497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).