1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride

C16H32ClNO3 — CID 2892832

IUPAC1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CC(OCC(O)CN2CCOCC2)CC(C)(C)C1.Cl
InChIInChI=1S/C16H31NO3.ClH/c1-13-8-15(10-16(2,3)9-13)20-12-14(18)11-17-4-6-19-7-5-17;/h13-15,18H,4-12H2,1-3H3;1H
InChIKeyPMKKBSQOKWUGGE-UHFFFAOYSA-N
MW321.89 g/mol
LogP2.33
Rot. Bonds5

About 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride

1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 2892832) has the molecular formula C16H32ClNO3 and a molecular weight of 321.89 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID2892832
Molecular FormulaC16H32ClNO3
Molecular Weight321.89 g/mol
Exact Mass321.21
IUPAC Name1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CC(OCC(O)CN2CCOCC2)CC(C)(C)C1.Cl
InChIInChI=1S/C16H31NO3.ClH/c1-13-8-15(10-16(2,3)9-13)20-12-14(18)11-17-4-6-19-7-5-17;/h13-15,18H,4-12H2,1-3H3;1H
InChIKeyPMKKBSQOKWUGGE-UHFFFAOYSA-N
XLogP2.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 2892832) is 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CC(OCC(O)CN2CCOCC2)CC(C)(C)C1.Cl.
What is the InChIKey of 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is PMKKBSQOKWUGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3.ClH/c1-13-8-15(10-16(2,3)9-13)20-12-14(18)11-17-4-6-19-7-5-17;/h13-15,18H,4-12H2,1-3H3;1H.
What are the key properties of 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 321.89 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2892832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).