3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol

C27H34ClN3O3 — CID 132768212

IUPAC3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol
SMILESCc1ccn(CCOc2ccc(CN3CCCC(O)(COc4cc(C)c(Cl)c(C)c4)C3)cc2)n1
InChIInChI=1S/C27H34ClN3O3/c1-20-15-25(16-21(2)26(20)28)34-19-27(32)10-4-11-30(18-27)17-23-5-7-24(8-6-23)33-14-13-31-12-9-22(3)29-31/h5-9,12,15-16,32H,4,10-11,13-14,17-19H2,1-3H3
InChIKeyBBKBOGSYULCAQM-UHFFFAOYSA-N
MW484.04 g/mol
LogP4.95
Rot. Bonds9

About 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol

3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol (PubChem CID 132768212) has the molecular formula C27H34ClN3O3 and a molecular weight of 484.04 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol
PubChem CID132768212
Molecular FormulaC27H34ClN3O3
Molecular Weight484.04 g/mol
Exact Mass483.23
IUPAC Name3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol
SMILESCc1ccn(CCOc2ccc(CN3CCCC(O)(COc4cc(C)c(Cl)c(C)c4)C3)cc2)n1
InChIInChI=1S/C27H34ClN3O3/c1-20-15-25(16-21(2)26(20)28)34-19-27(32)10-4-11-30(18-27)17-23-5-7-24(8-6-23)33-14-13-31-12-9-22(3)29-31/h5-9,12,15-16,32H,4,10-11,13-14,17-19H2,1-3H3
InChIKeyBBKBOGSYULCAQM-UHFFFAOYSA-N
XLogP4.95
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol with MolForge

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Related Compounds

3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-ol
CID 155992351
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-methoxy-3-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol
CID 132768874
3-(phenoxymethyl)-1-[[4-(3-pyrazol-1-ylpropoxy)phenyl]methyl]piperidin-3-ol
CID 132772135
1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol
CID 132766921
1-[3-[5-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]methyl]-2-methoxyphenoxy]propyl]azepan-2-one
CID 132769457
2-[(3S)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 129453545
1-[[4-[3-(2-methylimidazol-1-yl)propoxy]phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132767617
1-[3-[4-[[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]methyl]phenoxy]propyl]-5-methylpyridin-2-one
CID 132767606
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 132766898
3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
CID 155990623
4-[(2,4-dimethylphenoxy)methyl]-1-[[4-[3-(2-methylimidazol-1-yl)propoxy]phenyl]methyl]azepan-4-ol
CID 132768033
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]azepan-4-ol
CID 155991435

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol?
The IUPAC name of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol (CID 132768212) is 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol is Cc1ccn(CCOc2ccc(CN3CCCC(O)(COc4cc(C)c(Cl)c(C)c4)C3)cc2)n1.
What is the InChIKey of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol?
The InChIKey is BBKBOGSYULCAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O3/c1-20-15-25(16-21(2)26(20)28)34-19-27(32)10-4-11-30(18-27)17-23-5-7-24(8-6-23)33-14-13-31-12-9-22(3)29-31/h5-9,12,15-16,32H,4,10-11,13-14,17-19H2,1-3H3.
What are the key properties of 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol?
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol has a molecular weight of 484.04 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 132768212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).