3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

C20H30F2N2O3 — CID 72867141

IUPAC3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCOc1ccc(F)c(F)c1CN1CC[C@H](N2CCOCC2)[C@H](CCCO)C1
InChIInChI=1S/C20H30F2N2O3/c1-26-19-5-4-17(21)20(22)16(19)14-23-7-6-18(15(13-23)3-2-10-25)24-8-11-27-12-9-24/h4-5,15,18,25H,2-3,6-14H2,1H3/t15-,18+/m1/s1
InChIKeyAZUDWFQMTBXYAA-QAPCUYQASA-N
MW384.47 g/mol
LogP2.27
Rot. Bonds7

About 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol

3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (PubChem CID 72867141) has the molecular formula C20H30F2N2O3 and a molecular weight of 384.47 g/mol. Its IUPAC name is 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
PubChem CID72867141
Molecular FormulaC20H30F2N2O3
Molecular Weight384.47 g/mol
Exact Mass384.22
IUPAC Name3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
SMILESCOc1ccc(F)c(F)c1CN1CC[C@H](N2CCOCC2)[C@H](CCCO)C1
InChIInChI=1S/C20H30F2N2O3/c1-26-19-5-4-17(21)20(22)16(19)14-23-7-6-18(15(13-23)3-2-10-25)24-8-11-27-12-9-24/h4-5,15,18,25H,2-3,6-14H2,1H3/t15-,18+/m1/s1
InChIKeyAZUDWFQMTBXYAA-QAPCUYQASA-N
XLogP2.27
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol (CID 72867141) is 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is COc1ccc(F)c(F)c1CN1CC[C@H](N2CCOCC2)[C@H](CCCO)C1.
What is the InChIKey of 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
The InChIKey is AZUDWFQMTBXYAA-QAPCUYQASA-N. The full InChI is InChI=1S/C20H30F2N2O3/c1-26-19-5-4-17(21)20(22)16(19)14-23-7-6-18(15(13-23)3-2-10-25)24-8-11-27-12-9-24/h4-5,15,18,25H,2-3,6-14H2,1H3/t15-,18+/m1/s1.
What are the key properties of 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol?
3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol has a molecular weight of 384.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 72867141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).