(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol

C6H14N2O2 — CID 101020792

IUPAC(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol
SMILESN[C@H]1CNC[C@@H](CO)[C@H]1O
InChIInChI=1S/C6H14N2O2/c7-5-2-8-1-4(3-9)6(5)10/h4-6,8-10H,1-3,7H2/t4-,5-,6+/m0/s1
InChIKeyMAUMOWWKOAKDDP-HCWXCVPCSA-N
MW146.19 g/mol
LogP-2.11
Rot. Bonds1

About (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol

(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol (PubChem CID 101020792) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol
PubChem CID101020792
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol
SMILESN[C@H]1CNC[C@@H](CO)[C@H]1O
InChIInChI=1S/C6H14N2O2/c7-5-2-8-1-4(3-9)6(5)10/h4-6,8-10H,1-3,7H2/t4-,5-,6+/m0/s1
InChIKeyMAUMOWWKOAKDDP-HCWXCVPCSA-N
XLogP-2.11
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
(3S,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 10510991
(3R,4S,5R,6R)-6-(hydroxymethyl)azepane-3,4,5-triol;hydrochloride
CID 56949706
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
CID 139845790
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
5-amino-3-(hydroxymethyl)diazinan-4-ol
CID 71436773
(2S,3R,4R,5S,6R)-6-amino-2-(hydroxymethyl)azepane-3,4,5-triol
CID 11469580
[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol
CID 143159584

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol (CID 101020792) is (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol is N[C@H]1CNC[C@@H](CO)[C@H]1O.
What is the InChIKey of (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol?
The InChIKey is MAUMOWWKOAKDDP-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-5-2-8-1-4(3-9)6(5)10/h4-6,8-10H,1-3,7H2/t4-,5-,6+/m0/s1.
What are the key properties of (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol?
(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol has a molecular weight of 146.19 g/mol, XLogP of -2.11, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 101020792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).