1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

C22H34N2O4 — CID 175644306

IUPAC1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESCOc1ccc(CN2CC=CCC2)cc1OCC(O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C22H34N2O4/c1-17-12-24(13-18(2)28-17)15-20(25)16-27-22-11-19(7-8-21(22)26-3)14-23-9-5-4-6-10-23/h4-5,7-8,11,17-18,20,25H,6,9-10,12-16H2,1-3H3/t17-,18+,20?
InChIKeyJDAFPGAHYJGLBB-UFRUDQCGSA-N
MW390.52 g/mol
LogP2.31
Rot. Bonds8

About 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 175644306) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID175644306
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESCOc1ccc(CN2CC=CCC2)cc1OCC(O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C22H34N2O4/c1-17-12-24(13-18(2)28-17)15-20(25)16-27-22-11-19(7-8-21(22)26-3)14-23-9-5-4-6-10-23/h4-5,7-8,11,17-18,20,25H,6,9-10,12-16H2,1-3H3/t17-,18+,20?
InChIKeyJDAFPGAHYJGLBB-UFRUDQCGSA-N
XLogP2.31
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-(azepan-1-ylmethyl)-2-methoxyphenoxy]-3-(3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 175642102
1-[2-methoxy-5-[[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 172657582
1-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-4-methoxyphenyl]methyl]azetidin-3-ol
CID 97272327
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693
1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenoxy]propan-2-ol
CID 176501729
1-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]propan-2-ol
CID 175642732
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[2-methoxy-4-(piperazin-1-ylmethyl)phenoxy]propan-2-ol
CID 172665918
(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7157659
1-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72853462
1-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-3-[2-methoxy-5-(oxazinan-2-ylmethyl)phenoxy]propan-2-ol
CID 172671781
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 72892821
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 175644306) is 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is COc1ccc(CN2CC=CCC2)cc1OCC(O)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is JDAFPGAHYJGLBB-UFRUDQCGSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-17-12-24(13-18(2)28-17)15-20(25)16-27-22-11-19(7-8-21(22)26-3)14-23-9-5-4-6-10-23/h4-5,7-8,11,17-18,20,25H,6,9-10,12-16H2,1-3H3/t17-,18+,20?.
What are the key properties of 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 390.52 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-methoxyphenoxy]-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 175644306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).