1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride

C15H30ClNO3 — CID 18592906

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride
SMILESCC1CN(CC(O)COC2CCCC2C)CC(C)O1.Cl
InChIInChI=1S/C15H29NO3.ClH/c1-11-5-4-6-15(11)18-10-14(17)9-16-7-12(2)19-13(3)8-16;/h11-15,17H,4-10H2,1-3H3;1H
InChIKeyZKLRZANPMZIVKD-UHFFFAOYSA-N
MW307.86 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride

1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride (PubChem CID 18592906) has the molecular formula C15H30ClNO3 and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride
PubChem CID18592906
Molecular FormulaC15H30ClNO3
Molecular Weight307.86 g/mol
Exact Mass307.19
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride
SMILESCC1CN(CC(O)COC2CCCC2C)CC(C)O1.Cl
InChIInChI=1S/C15H29NO3.ClH/c1-11-5-4-6-15(11)18-10-14(17)9-16-7-12(2)19-13(3)8-16;/h11-15,17H,4-10H2,1-3H3;1H
InChIKeyZKLRZANPMZIVKD-UHFFFAOYSA-N
XLogP2.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride (CID 18592906) is 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride is CC1CN(CC(O)COC2CCCC2C)CC(C)O1.Cl.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
The InChIKey is ZKLRZANPMZIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.ClH/c1-11-5-4-6-15(11)18-10-14(17)9-16-7-12(2)19-13(3)8-16;/h11-15,17H,4-10H2,1-3H3;1H.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride has a molecular weight of 307.86 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 18592906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).