3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol

C25H35NO3 — CID 110532589

IUPAC3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(CC)CCC2O)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C25H35NO3/c1-5-26-12-11-23(27)21(16-26)14-20-9-10-24(25(15-20)28-6-2)29-17-22-13-18(3)7-8-19(22)4/h7-10,13,15,21,23,27H,5-6,11-12,14,16-17H2,1-4H3
InChIKeyFFAWAZNDCBCRBX-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.53
Rot. Bonds8

About 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol

3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol (PubChem CID 110532589) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
PubChem CID110532589
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
SMILESCCOc1cc(CC2CN(CC)CCC2O)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C25H35NO3/c1-5-26-12-11-23(27)21(16-26)14-20-9-10-24(25(15-20)28-6-2)29-17-22-13-18(3)7-8-19(22)4/h7-10,13,15,21,23,27H,5-6,11-12,14,16-17H2,1-4H3
InChIKeyFFAWAZNDCBCRBX-UHFFFAOYSA-N
XLogP4.53
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110538254
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
CID 83952506
1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 110534393
3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110539475
(2Z)-2-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 110533030
[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 105372050

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol (CID 110532589) is 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol is CCOc1cc(CC2CN(CC)CCC2O)ccc1OCc1cc(C)ccc1C.
What is the InChIKey of 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
The InChIKey is FFAWAZNDCBCRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-5-26-12-11-23(27)21(16-26)14-20-9-10-24(25(15-20)28-6-2)29-17-22-13-18(3)7-8-19(22)4/h7-10,13,15,21,23,27H,5-6,11-12,14,16-17H2,1-4H3.
What are the key properties of 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol?
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol has a molecular weight of 397.56 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110532589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).