(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride

C6H14ClNO2 — CID 146675644

IUPAC(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
SMILESC[C@H]1CNC[C@H](O)[C@@H]1O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-2-7-3-5(8)6(4)9;/h4-9H,2-3H2,1H3;1H/t4-,5-,6+;/m0./s1
InChIKeyZLEFOCAKDHAYEL-WLUDYRNVSA-N
MW167.64 g/mol
LogP-0.63
Rot. Bonds

About (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride

(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride (PubChem CID 146675644) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
PubChem CID146675644
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
SMILESC[C@H]1CNC[C@H](O)[C@@H]1O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-2-7-3-5(8)6(4)9;/h4-9H,2-3H2,1H3;1H/t4-,5-,6+;/m0./s1
InChIKeyZLEFOCAKDHAYEL-WLUDYRNVSA-N
XLogP-0.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride?
The IUPAC name of (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride (CID 146675644) is (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride.
What is the SMILES notation for (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride?
The canonical SMILES for (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride is C[C@H]1CNC[C@H](O)[C@@H]1O.Cl.
What is the InChIKey of (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride?
The InChIKey is ZLEFOCAKDHAYEL-WLUDYRNVSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4-2-7-3-5(8)6(4)9;/h4-9H,2-3H2,1H3;1H/t4-,5-,6+;/m0./s1.
What are the key properties of (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride?
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride is sourced from PubChem (CID 146675644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).