1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol

C16H25NO3 — CID 60761061

IUPAC1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1(C)CN(CC(O)COCc2ccccc2)CCO1
InChIInChI=1S/C16H25NO3/c1-16(2)13-17(8-9-20-16)10-15(18)12-19-11-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyLSRQXCNLRODBFR-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.67
Rot. Bonds6

About 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol

1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 60761061) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol
PubChem CID60761061
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1(C)CN(CC(O)COCc2ccccc2)CCO1
InChIInChI=1S/C16H25NO3/c1-16(2)13-17(8-9-20-16)10-15(18)12-19-11-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyLSRQXCNLRODBFR-UHFFFAOYSA-N
XLogP1.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(2,2-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 110888534
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol
CID 111858535
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 95330936
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol (CID 60761061) is 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol is CC1(C)CN(CC(O)COCc2ccccc2)CCO1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is LSRQXCNLRODBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2)13-17(8-9-20-16)10-15(18)12-19-11-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 60761061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).