(2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol

C10H21NO3 — CID 70683133

IUPAC(2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESCCCCN1CC[C@@H](O)[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H21NO3/c1-2-3-5-11-6-4-9(13)10(14)8(11)7-12/h8-10,12-14H,2-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeyIODUPADKAVXSTI-IVZWLZJFSA-N
MW203.28 g/mol
LogP-0.43
Rot. Bonds4

About (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol

(2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 70683133) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol
PubChem CID70683133
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESCCCCN1CC[C@@H](O)[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H21NO3/c1-2-3-5-11-6-4-9(13)10(14)8(11)7-12/h8-10,12-14H,2-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeyIODUPADKAVXSTI-IVZWLZJFSA-N
XLogP-0.43
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol (CID 70683133) is (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol is CCCCN1CC[C@@H](O)[C@H](O)[C@@H]1CO.
What is the InChIKey of (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is IODUPADKAVXSTI-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-5-11-6-4-9(13)10(14)8(11)7-12/h8-10,12-14H,2-7H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol?
(2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 203.28 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-1-butyl-2-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 70683133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).