5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol

C15H29NO3 — CID 57051186

IUPAC5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
SMILESOC(CCC1CCCCC1)C(O)CN1CCOCC1
InChIInChI=1S/C15H29NO3/c17-14(7-6-13-4-2-1-3-5-13)15(18)12-16-8-10-19-11-9-16/h13-15,17-18H,1-12H2
InChIKeyJBXQHCZLFHEUGR-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.40
Rot. Bonds6

About 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol

5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol (PubChem CID 57051186) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol.

Molecular Properties

Compound Name5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
PubChem CID57051186
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol
SMILESOC(CCC1CCCCC1)C(O)CN1CCOCC1
InChIInChI=1S/C15H29NO3/c17-14(7-6-13-4-2-1-3-5-13)15(18)12-16-8-10-19-11-9-16/h13-15,17-18H,1-12H2
InChIKeyJBXQHCZLFHEUGR-UHFFFAOYSA-N
XLogP1.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The IUPAC name of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol (CID 57051186) is 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol.
What is the SMILES notation for 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The canonical SMILES for 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol is OC(CCC1CCCCC1)C(O)CN1CCOCC1.
What is the InChIKey of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
The InChIKey is JBXQHCZLFHEUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c17-14(7-6-13-4-2-1-3-5-13)15(18)12-16-8-10-19-11-9-16/h13-15,17-18H,1-12H2.
What are the key properties of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol?
5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol has a molecular weight of 271.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol is sourced from PubChem (CID 57051186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).