(2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol

C14H27NO4 — CID 155286562

IUPAC(2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
SMILESCOC1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)CC1
InChIInChI=1S/C14H27NO4/c1-9-13(17)14(18)12(16)8-15(9)7-10-3-5-11(19-2)6-4-10/h9-14,16-18H,3-8H2,1-2H3/t9-,10?,11?,12+,13-,14-/m1/s1
InChIKeyJLLUGRUZCIGFHT-PKGPWNPJSA-N
MW273.37 g/mol
LogP-0.02
Rot. Bonds3

About (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol

(2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol (PubChem CID 155286562) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
PubChem CID155286562
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
SMILESCOC1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)CC1
InChIInChI=1S/C14H27NO4/c1-9-13(17)14(18)12(16)8-15(9)7-10-3-5-11(19-2)6-4-10/h9-14,16-18H,3-8H2,1-2H3/t9-,10?,11?,12+,13-,14-/m1/s1
InChIKeyJLLUGRUZCIGFHT-PKGPWNPJSA-N
XLogP-0.02
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol (CID 155286562) is (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol is COC1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2C)CC1.
What is the InChIKey of (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
The InChIKey is JLLUGRUZCIGFHT-PKGPWNPJSA-N. The full InChI is InChI=1S/C14H27NO4/c1-9-13(17)14(18)12(16)8-15(9)7-10-3-5-11(19-2)6-4-10/h9-14,16-18H,3-8H2,1-2H3/t9-,10?,11?,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol has a molecular weight of 273.37 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-[(4-methoxycyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 155286562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).