1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride

C13H26ClNO3 — CID 44782533

IUPAC1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COC1CCCCC1)CN1CCOCC1
InChIInChI=1S/C13H25NO3.ClH/c15-12(10-14-6-8-16-9-7-14)11-17-13-4-2-1-3-5-13;/h12-13,15H,1-11H2;1H
InChIKeyQSRSNTXDSLQAFX-UHFFFAOYSA-N
MW279.81 g/mol
LogP1.45
Rot. Bonds5

About 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 44782533) has the molecular formula C13H26ClNO3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID44782533
Molecular FormulaC13H26ClNO3
Molecular Weight279.81 g/mol
Exact Mass279.16
IUPAC Name1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COC1CCCCC1)CN1CCOCC1
InChIInChI=1S/C13H25NO3.ClH/c15-12(10-14-6-8-16-9-7-14)11-17-13-4-2-1-3-5-13;/h12-13,15H,1-11H2;1H
InChIKeyQSRSNTXDSLQAFX-UHFFFAOYSA-N
XLogP1.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 44782533) is 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride is Cl.OC(COC1CCCCC1)CN1CCOCC1.
What is the InChIKey of 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is QSRSNTXDSLQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3.ClH/c15-12(10-14-6-8-16-9-7-14)11-17-13-4-2-1-3-5-13;/h12-13,15H,1-11H2;1H.
What are the key properties of 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 44782533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).