(3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride

C6H14ClNO2 — CID 178190282

IUPAC(3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride
SMILESCl.OC[C@@H]1CC[C@H](O)CN1
InChIInChI=1S/C6H13NO2.ClH/c8-4-5-1-2-6(9)3-7-5;/h5-9H,1-4H2;1H/t5-,6-;/m0./s1
InChIKeyCVIBYJGHRWLKEV-GEMLJDPKSA-N
MW167.64 g/mol
LogP-0.49
Rot. Bonds1

About (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride

(3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride (PubChem CID 178190282) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride
PubChem CID178190282
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride
SMILESCl.OC[C@@H]1CC[C@H](O)CN1
InChIInChI=1S/C6H13NO2.ClH/c8-4-5-1-2-6(9)3-7-5;/h5-9H,1-4H2;1H/t5-,6-;/m0./s1
InChIKeyCVIBYJGHRWLKEV-GEMLJDPKSA-N
XLogP-0.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Deoxynojirimycin
CID 29435
Migalastat
CID 176077
2-(Hydroxymethyl)piperidine-3,4,5-triol
CID 1374
1-Deoxymannojirimycin
CID 72258
1-Deoxynojirimycin Hydrochloride
CID 13018787
Fagomine
CID 72259
Migalastat Hydrochloride
CID 11644097
(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
CID 159496
Piperidines
CID 44237242
Deoxygalactonojirimycin, Hydrochloride
CID 377339
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 6475030
(2R,3R,5R,6S)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 6475029

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride?
The IUPAC name of (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride (CID 178190282) is (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride?
The canonical SMILES for (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride is Cl.OC[C@@H]1CC[C@H](O)CN1.
What is the InChIKey of (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride?
The InChIKey is CVIBYJGHRWLKEV-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c8-4-5-1-2-6(9)3-7-5;/h5-9H,1-4H2;1H/t5-,6-;/m0./s1.
What are the key properties of (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride?
(3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-(hydroxymethyl)piperidin-3-ol;hydrochloride is sourced from PubChem (CID 178190282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).