1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride

C17H34ClNO3 — CID 2769746

IUPAC1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCOCC2)C1.Cl
InChIInChI=1S/C17H33NO3.ClH/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18;/h13-17,19H,4-12H2,1-3H3;1H
InChIKeyHNRZXADTDYPZDI-UHFFFAOYSA-N
MW335.92 g/mol
LogP2.58
Rot. Bonds6

About 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 2769746) has the molecular formula C17H34ClNO3 and a molecular weight of 335.92 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID2769746
Molecular FormulaC17H34ClNO3
Molecular Weight335.92 g/mol
Exact Mass335.22
IUPAC Name1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCOCC2)C1.Cl
InChIInChI=1S/C17H33NO3.ClH/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18;/h13-17,19H,4-12H2,1-3H3;1H
InChIKeyHNRZXADTDYPZDI-UHFFFAOYSA-N
XLogP2.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 2769746) is 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride is CC1CCC(C(C)C)C(OCC(O)CN2CCOCC2)C1.Cl.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is HNRZXADTDYPZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3.ClH/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18;/h13-17,19H,4-12H2,1-3H3;1H.
What are the key properties of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 335.92 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2769746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).