(3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol

C11H22N2O4 — CID 174154670

IUPAC(3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol
SMILESNCC1OC(O)[C@H](N2CCCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22N2O4/c12-6-7-9(14)10(15)8(11(16)17-7)13-4-2-1-3-5-13/h7-11,14-16H,1-6,12H2/t7?,8-,9+,10-,11?/m1/s1
InChIKeyKYRJHYYCVIZBQN-BAUKGFNRSA-N
MW246.31 g/mol
LogP-1.76
Rot. Bonds2

About (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol

(3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol (PubChem CID 174154670) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol
PubChem CID174154670
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol
SMILESNCC1OC(O)[C@H](N2CCCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22N2O4/c12-6-7-9(14)10(15)8(11(16)17-7)13-4-2-1-3-5-13/h7-11,14-16H,1-6,12H2/t7?,8-,9+,10-,11?/m1/s1
InChIKeyKYRJHYYCVIZBQN-BAUKGFNRSA-N
XLogP-1.76
TPSA99.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
CID 89194762
(3R)-3-piperidin-1-yloxiran-2-ol
CID 155221642
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
CID 59102120
CID 59102120
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol
CID 22816603
1-[(3aS,7aS)-5-(aminomethyl)-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2,2,2-trifluoroethanone
CID 166975572
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol;dihydrochloride
CID 146118858
(1S,2S,3S,4R,5R)-2-amino-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25338247
1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione
CID 139757906
(1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25338182
(2R,3S,4S)-5-(aminomethyl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 129100417

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol?
The IUPAC name of (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol (CID 174154670) is (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol is NCC1OC(O)[C@H](N2CCCCC2)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol?
The InChIKey is KYRJHYYCVIZBQN-BAUKGFNRSA-N. The full InChI is InChI=1S/C11H22N2O4/c12-6-7-9(14)10(15)8(11(16)17-7)13-4-2-1-3-5-13/h7-11,14-16H,1-6,12H2/t7?,8-,9+,10-,11?/m1/s1.
What are the key properties of (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol?
(3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol has a molecular weight of 246.31 g/mol, XLogP of -1.76, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-6-(aminomethyl)-3-piperidin-1-yloxane-2,4,5-triol is sourced from PubChem (CID 174154670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).