(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol

C14H27NO3 — CID 155286513

IUPAC(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-10-13(17)14(18)12(16)9-15(10)8-7-11-5-3-2-4-6-11/h10-14,16-18H,2-9H2,1H3/t10-,12+,13-,14-/m1/s1
InChIKeyBTTOGQXZRSNSIZ-YXCITZCRSA-N
MW257.37 g/mol
LogP0.74
Rot. Bonds3

About (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol

(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol (PubChem CID 155286513) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol
PubChem CID155286513
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-10-13(17)14(18)12(16)9-15(10)8-7-11-5-3-2-4-6-11/h10-14,16-18H,2-9H2,1H3/t10-,12+,13-,14-/m1/s1
InChIKeyBTTOGQXZRSNSIZ-YXCITZCRSA-N
XLogP0.74
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol (CID 155286513) is (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol is C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCC1CCCCC1.
What is the InChIKey of (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol?
The InChIKey is BTTOGQXZRSNSIZ-YXCITZCRSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10-13(17)14(18)12(16)9-15(10)8-7-11-5-3-2-4-6-11/h10-14,16-18H,2-9H2,1H3/t10-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol has a molecular weight of 257.37 g/mol, XLogP of 0.74, 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)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 155286513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).