(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride

C7H16ClNO3 — CID 172714934

IUPAC(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
SMILESCN1C[C@H](CO)[C@@H](O)[C@H](O)C1.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-8-2-5(4-9)7(11)6(10)3-8;/h5-7,9-11H,2-4H2,1H3;1H/t5-,6-,7-;/m1./s1
InChIKeyFSUDSWLHFQKJOM-RYLOHDEPSA-N
MW197.66 g/mol
LogP-1.32
Rot. Bonds1

About (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride

(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride (PubChem CID 172714934) has the molecular formula C7H16ClNO3 and a molecular weight of 197.66 g/mol. Its IUPAC name is (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
PubChem CID172714934
Molecular FormulaC7H16ClNO3
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
SMILESCN1C[C@H](CO)[C@@H](O)[C@H](O)C1.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-8-2-5(4-9)7(11)6(10)3-8;/h5-7,9-11H,2-4H2,1H3;1H/t5-,6-,7-;/m1./s1
InChIKeyFSUDSWLHFQKJOM-RYLOHDEPSA-N
XLogP-1.32
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
CID 129236515
[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 177157260
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide
CID 18797121
(3R,4R)-4-(methoxymethyl)-1-methylpyrrolidin-3-ol
CID 140507745
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 118588542
ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
CID 164904424
4-butyl-1-methylpyrrolidin-3-ol
CID 140584543
1-(4-hydroxy-1-methylpyrrolidin-3-yl)ethanone
CID 59878538
10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol
CID 146675348
(2S,3S)-4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]butane-1,2,3-triol
CID 10705883

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride?
The IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride (CID 172714934) is (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride.
What is the SMILES notation for (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride?
The canonical SMILES for (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride is CN1C[C@H](CO)[C@@H](O)[C@H](O)C1.Cl.
What is the InChIKey of (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride?
The InChIKey is FSUDSWLHFQKJOM-RYLOHDEPSA-N. The full InChI is InChI=1S/C7H15NO3.ClH/c1-8-2-5(4-9)7(11)6(10)3-8;/h5-7,9-11H,2-4H2,1H3;1H/t5-,6-,7-;/m1./s1.
What are the key properties of (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride?
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of -1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride is sourced from PubChem (CID 172714934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).