[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone

C17H23NO3 — CID 114778312

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone
SMILESCC1(C)CN(C(=O)C2CC2c2ccccc2)CC(CO)O1
InChIInChI=1S/C17H23NO3/c1-17(2)11-18(9-13(10-19)21-17)16(20)15-8-14(15)12-6-4-3-5-7-12/h3-7,13-15,19H,8-11H2,1-2H3
InChIKeySAPWTYROQIPZKU-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.79
Rot. Bonds3

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 114778312) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone
PubChem CID114778312
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone
SMILESCC1(C)CN(C(=O)C2CC2c2ccccc2)CC(CO)O1
InChIInChI=1S/C17H23NO3/c1-17(2)11-18(9-13(10-19)21-17)16(20)15-8-14(15)12-6-4-3-5-7-12/h3-7,13-15,19H,8-11H2,1-2H3
InChIKeySAPWTYROQIPZKU-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778305
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
CID 107036511
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methylphenyl)sulfanylethanone
CID 114778930
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780403
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
(2-ethoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778977
2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid
CID 114778133
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-3-yl)methanone
CID 114821834

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone (CID 114778312) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone is CC1(C)CN(C(=O)C2CC2c2ccccc2)CC(CO)O1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is SAPWTYROQIPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2)11-18(9-13(10-19)21-17)16(20)15-8-14(15)12-6-4-3-5-7-12/h3-7,13-15,19H,8-11H2,1-2H3.
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 289.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 114778312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).