(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol

C7H16N2O2 — CID 156809597

IUPAC(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
SMILESCN(C)[C@H]1CNC[C@H](O)[C@@H]1O
InChIInChI=1S/C7H16N2O2/c1-9(2)5-3-8-4-6(10)7(5)11/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyCQYKPYNQVWKOFT-LYFYHCNISA-N
MW160.22 g/mol
LogP-1.76
Rot. Bonds1

About (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol

(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol (PubChem CID 156809597) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
PubChem CID156809597
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
SMILESCN(C)[C@H]1CNC[C@H](O)[C@@H]1O
InChIInChI=1S/C7H16N2O2/c1-9(2)5-3-8-4-6(10)7(5)11/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyCQYKPYNQVWKOFT-LYFYHCNISA-N
XLogP-1.76
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride
CID 156592163
(3R,4R)-4-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-3-ol
CID 130857921
2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide
CID 131067305
(4S)-N,N,4-trimethylpyrrolidin-3-amine
CID 142439406
(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol
CID 122236823
(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
CID 129371186
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
CID 114282302
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol?
The IUPAC name of (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol (CID 156809597) is (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol?
The canonical SMILES for (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol is CN(C)[C@H]1CNC[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol?
The InChIKey is CQYKPYNQVWKOFT-LYFYHCNISA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(2)5-3-8-4-6(10)7(5)11/h5-8,10-11H,3-4H2,1-2H3/t5-,6-,7+/m0/s1.
What are the key properties of (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol?
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol has a molecular weight of 160.22 g/mol, XLogP of -1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol is sourced from PubChem (CID 156809597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).