1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol

C21H34N2O4 — CID 72914453

IUPAC1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
SMILESCCN(Cc1ccc(OCC(O)CN2CCC(O)CC2)c(OC)c1)C1CC1
InChIInChI=1S/C21H34N2O4/c1-3-23(17-5-6-17)13-16-4-7-20(21(12-16)26-2)27-15-19(25)14-22-10-8-18(24)9-11-22/h4,7,12,17-19,24-25H,3,5-6,8-11,13-15H2,1-2H3
InChIKeyRUCOPOVWGCGLSR-UHFFFAOYSA-N
MW378.51 g/mol
LogP1.88
Rot. Bonds10

About 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol

1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol (PubChem CID 72914453) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
PubChem CID72914453
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
SMILESCCN(Cc1ccc(OCC(O)CN2CCC(O)CC2)c(OC)c1)C1CC1
InChIInChI=1S/C21H34N2O4/c1-3-23(17-5-6-17)13-16-4-7-20(21(12-16)26-2)27-15-19(25)14-22-10-8-18(24)9-11-22/h4,7,12,17-19,24-25H,3,5-6,8-11,13-15H2,1-2H3
InChIKeyRUCOPOVWGCGLSR-UHFFFAOYSA-N
XLogP1.88
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(2S)-3-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97276509
1-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 72870007
1-[(2R)-3-[4-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97273948
1-[3-[4-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 72869940
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
1-[(2S)-3-[4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 42452870
1-[(2R)-3-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97281091
1-[(2R)-2-hydroxy-3-[4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methoxyphenoxy]propyl]piperidin-4-ol
CID 42393375
1-[(2R)-3-[4-[[(3-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 25371781
(2R)-1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30728861
1-[(2S)-2-hydroxy-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]propyl]piperidin-4-ol
CID 42212119
(2R)-1-[4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30673704

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol (CID 72914453) is 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol is CCN(Cc1ccc(OCC(O)CN2CCC(O)CC2)c(OC)c1)C1CC1.
What is the InChIKey of 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol?
The InChIKey is RUCOPOVWGCGLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-3-23(17-5-6-17)13-16-4-7-20(21(12-16)26-2)27-15-19(25)14-22-10-8-18(24)9-11-22/h4,7,12,17-19,24-25H,3,5-6,8-11,13-15H2,1-2H3.
What are the key properties of 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol?
1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol has a molecular weight of 378.51 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[cyclopropyl(ethyl)amino]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol is sourced from PubChem (CID 72914453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).