(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol

C10H21NO3 — CID 72547443

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol
SMILESCCC[C@H]1CN(C)[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO3/c1-3-4-7-5-11(2)8(6-12)10(14)9(7)13/h7-10,12-14H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKeyBZDSLUDHHISEFN-SGIHWFKDSA-N
MW203.28 g/mol
LogP-0.57
Rot. Bonds3

About (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol (PubChem CID 72547443) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol
PubChem CID72547443
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol
SMILESCCC[C@H]1CN(C)[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO3/c1-3-4-7-5-11(2)8(6-12)10(14)9(7)13/h7-10,12-14H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKeyBZDSLUDHHISEFN-SGIHWFKDSA-N
XLogP-0.57
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol
CID 122657813
Isofagomine derivative, 7
CID 57340004
(3R,4R,5R,6S)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
CID 11300283
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
CID 122657820
(2R,3R,4R,5S)-1-(4-cyclohexylbutyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 503977
(2R,3S,4R,5S,6S)-6-butyl-2-(hydroxymethyl)-5-methylpiperidine-3,4-diol
CID 46906930
Isofagomine derivative, 6
CID 57340001
Isofagomine derivative, 10
CID 57340003
(1R,2S,6R,8S,8aS)-6-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 24180521
(2R,3R,4R,5S)-1-(7-Ethyl-7-hydroxynonyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 51031020
(2R,3R,4R,5S)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 452617
(2R,3R,4R)-2-(hydroxymethyl)-1-(4-methylpentyl)piperidine-3,4-diol
CID 118986941

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol (CID 72547443) is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol is CCC[C@H]1CN(C)[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol?
The InChIKey is BZDSLUDHHISEFN-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-7-5-11(2)8(6-12)10(14)9(7)13/h7-10,12-14H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol has a molecular weight of 203.28 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol is sourced from PubChem (CID 72547443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).