3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol

C21H27NO3 — CID 86038591

IUPAC3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol
SMILESCOCc1cc(O)cc(OCc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C21H27NO3/c1-24-15-19-11-20(23)13-21(12-19)25-16-18-7-5-17(6-8-18)14-22-9-3-2-4-10-22/h5-8,11-13,23H,2-4,9-10,14-16H2,1H3
InChIKeyUZRBZVLBMVAXOB-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.10
Rot. Bonds7

About 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol

3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol (PubChem CID 86038591) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol
PubChem CID86038591
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol
SMILESCOCc1cc(O)cc(OCc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C21H27NO3/c1-24-15-19-11-20(23)13-21(12-19)25-16-18-7-5-17(6-8-18)14-22-9-3-2-4-10-22/h5-8,11-13,23H,2-4,9-10,14-16H2,1H3
InChIKeyUZRBZVLBMVAXOB-UHFFFAOYSA-N
XLogP4.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
4-phenylmethoxy-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13417334
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
CID 155582592
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-benzylpiperidine;methanamine;N-methyl-3-phenylmethoxyaniline
CID 145071102
2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 925596
1-[[4-bromo-3-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 170918995
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-[(4-methylphenyl)methyl]azepane
CID 3951815

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol?
The IUPAC name of 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol (CID 86038591) is 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol.
What is the SMILES notation for 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol?
The canonical SMILES for 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol is COCc1cc(O)cc(OCc2ccc(CN3CCCCC3)cc2)c1.
What is the InChIKey of 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol?
The InChIKey is UZRBZVLBMVAXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-24-15-19-11-20(23)13-21(12-19)25-16-18-7-5-17(6-8-18)14-22-9-3-2-4-10-22/h5-8,11-13,23H,2-4,9-10,14-16H2,1H3.
What are the key properties of 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol?
3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol has a molecular weight of 341.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol is sourced from PubChem (CID 86038591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).