1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol

C20H26N2O3 — CID 77094509

IUPAC1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCOCc1cc(CN2CCC(O)(c3cccnc3)CC2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-24-15-17-12-16(5-6-19(17)25-2)14-22-10-7-20(23,8-11-22)18-4-3-9-21-13-18/h3-6,9,12-13,23H,7-8,10-11,14-15H2,1-2H3
InChIKeyYJGHESKBLBRNEQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.72
Rot. Bonds6

About 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 77094509) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID77094509
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCOCc1cc(CN2CCC(O)(c3cccnc3)CC2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-24-15-17-12-16(5-6-19(17)25-2)14-22-10-7-20(23,8-11-22)18-4-3-9-21-13-18/h3-6,9,12-13,23H,7-8,10-11,14-15H2,1-2H3
InChIKeyYJGHESKBLBRNEQ-UHFFFAOYSA-N
XLogP2.72
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46955110
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967108
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
CID 77097117
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967098
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120
1-[[4-[(4-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 42171977
1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297706
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 77094509) is 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol is COCc1cc(CN2CCC(O)(c3cccnc3)CC2)ccc1OC.
What is the InChIKey of 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is YJGHESKBLBRNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-15-17-12-16(5-6-19(17)25-2)14-22-10-7-20(23,8-11-22)18-4-3-9-21-13-18/h3-6,9,12-13,23H,7-8,10-11,14-15H2,1-2H3.
What are the key properties of 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 342.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 77094509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).