1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol

C18H29NO2 — CID 102745848

IUPAC1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CC(C)(C)OC(C)(C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-14-6-8-15(9-7-14)16(20)10-11-19-12-17(2,3)21-18(4,5)13-19/h6-9,16,20H,10-13H2,1-5H3
InChIKeyYGBNODRRIBCNSI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol

1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol (PubChem CID 102745848) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
PubChem CID102745848
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CC(C)(C)OC(C)(C)C2)cc1
InChIInChI=1S/C18H29NO2/c1-14-6-8-15(9-7-14)16(20)10-11-19-12-17(2,3)21-18(4,5)13-19/h6-9,16,20H,10-13H2,1-5H3
InChIKeyYGBNODRRIBCNSI-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-ol
CID 62619165
1-(4-fluorophenyl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 62629822
1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102745806
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102744332
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780269
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol (CID 102745848) is 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol is Cc1ccc(C(O)CCN2CC(C)(C)OC(C)(C)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol?
The InChIKey is YGBNODRRIBCNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-6-8-15(9-7-14)16(20)10-11-19-12-17(2,3)21-18(4,5)13-19/h6-9,16,20H,10-13H2,1-5H3.
What are the key properties of 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol?
1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 102745848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).