(3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol

C8H17NO3 — CID 59915459

IUPAC(3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol
SMILESC[C@@H]1CN(C)C(CO)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO3/c1-5-3-9(2)6(4-10)8(12)7(5)11/h5-8,10-12H,3-4H2,1-2H3/t5-,6?,7+,8+/m1/s1
InChIKeyHSCDHHYHFJUQNE-BJLRKGDGSA-N
MW175.23 g/mol
LogP-1.35
Rot. Bonds1

About (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol

(3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol (PubChem CID 59915459) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol
PubChem CID59915459
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol
SMILESC[C@@H]1CN(C)C(CO)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO3/c1-5-3-9(2)6(4-10)8(12)7(5)11/h5-8,10-12H,3-4H2,1-2H3/t5-,6?,7+,8+/m1/s1
InChIKeyHSCDHHYHFJUQNE-BJLRKGDGSA-N
XLogP-1.35
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol?
The IUPAC name of (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol (CID 59915459) is (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol is C[C@@H]1CN(C)C(CO)[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol?
The InChIKey is HSCDHHYHFJUQNE-BJLRKGDGSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-3-9(2)6(4-10)8(12)7(5)11/h5-8,10-12H,3-4H2,1-2H3/t5-,6?,7+,8+/m1/s1.
What are the key properties of (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol?
(3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol has a molecular weight of 175.23 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2-(hydroxymethyl)-1,5-dimethylpiperidine-3,4-diol is sourced from PubChem (CID 59915459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).