(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

C10H22ClNO4 — CID 6603107

IUPAC(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cl
InChIInChI=1S/C10H21NO4.ClH/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12;/h7-10,12-15H,2-6H2,1H3;1H/t7-,8+,9-,10-;/m1./s1
InChIKeyQPAFAUYWVZMWPR-ZSOUGHPYSA-N
MW255.74 g/mol
LogP-1.03
Rot. Bonds4

About (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (PubChem CID 6603107) has the molecular formula C10H22ClNO4 and a molecular weight of 255.74 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
PubChem CID6603107
Molecular FormulaC10H22ClNO4
Molecular Weight255.74 g/mol
Exact Mass255.12
IUPAC Name(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cl
InChIInChI=1S/C10H21NO4.ClH/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12;/h7-10,12-15H,2-6H2,1H3;1H/t7-,8+,9-,10-;/m1./s1
InChIKeyQPAFAUYWVZMWPR-ZSOUGHPYSA-N
XLogP-1.03
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The IUPAC name of (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (CID 6603107) is (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.
What is the SMILES notation for (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The canonical SMILES for (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cl.
What is the InChIKey of (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The InChIKey is QPAFAUYWVZMWPR-ZSOUGHPYSA-N. The full InChI is InChI=1S/C10H21NO4.ClH/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12;/h7-10,12-15H,2-6H2,1H3;1H/t7-,8+,9-,10-;/m1./s1.
What are the key properties of (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is sourced from PubChem (CID 6603107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).