(3R,4S)-4-methylpiperidine-3,4-diol

C6H13NO2 — CID 55285415

IUPAC(3R,4S)-4-methylpiperidine-3,4-diol
SMILESC[C@]1(O)CCNC[C@H]1O
InChIInChI=1S/C6H13NO2/c1-6(9)2-3-7-4-5(6)8/h5,7-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyFMSHPCGQFCRYOE-RITPCOANSA-N
MW131.18 g/mol
LogP-0.91
Rot. Bonds

About (3R,4S)-4-methylpiperidine-3,4-diol

(3R,4S)-4-methylpiperidine-3,4-diol (PubChem CID 55285415) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3R,4S)-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-4-methylpiperidine-3,4-diol
PubChem CID55285415
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3R,4S)-4-methylpiperidine-3,4-diol
SMILESC[C@]1(O)CCNC[C@H]1O
InChIInChI=1S/C6H13NO2/c1-6(9)2-3-7-4-5(6)8/h5,7-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyFMSHPCGQFCRYOE-RITPCOANSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methylpiperidine-3,4-diol?
The IUPAC name of (3R,4S)-4-methylpiperidine-3,4-diol (CID 55285415) is (3R,4S)-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4S)-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3R,4S)-4-methylpiperidine-3,4-diol is C[C@]1(O)CCNC[C@H]1O.
What is the InChIKey of (3R,4S)-4-methylpiperidine-3,4-diol?
The InChIKey is FMSHPCGQFCRYOE-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(9)2-3-7-4-5(6)8/h5,7-9H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-4-methylpiperidine-3,4-diol?
(3R,4S)-4-methylpiperidine-3,4-diol has a molecular weight of 131.18 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 55285415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).