1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

C22H29NO3 — CID 3959151

IUPAC1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COC(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C22H29NO3/c1-17-13-23(14-18(2)26-17)15-21(24)16-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3
InChIKeySHNRXNHLXFMKGQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.26
Rot. Bonds7

About 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 3959151) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID3959151
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COC(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C22H29NO3/c1-17-13-23(14-18(2)26-17)15-21(24)16-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3
InChIKeySHNRXNHLXFMKGQ-UHFFFAOYSA-N
XLogP3.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 3959151) is 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)COC(c2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is SHNRXNHLXFMKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-17-13-23(14-18(2)26-17)15-21(24)16-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3.
What are the key properties of 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 355.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 3959151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).