3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine

C20H26N2O3 — CID 872916

IUPAC3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1cc(OC)c(OC)cc1CN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C20H26N2O3/c1-23-18-12-20(25-3)19(24-2)11-16(18)14-22-10-5-4-8-17(22)15-7-6-9-21-13-15/h6-7,9,11-13,17H,4-5,8,10,14H2,1-3H3/t17-/m1/s1
InChIKeyDASOULIRFQZZOD-QGZVFWFLSA-N
MW342.44 g/mol
LogP3.83
Rot. Bonds6

About 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine

3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 872916) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
PubChem CID872916
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1cc(OC)c(OC)cc1CN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C20H26N2O3/c1-23-18-12-20(25-3)19(24-2)11-16(18)14-22-10-5-4-8-17(22)15-7-6-9-21-13-15/h6-7,9,11-13,17H,4-5,8,10,14H2,1-3H3/t17-/m1/s1
InChIKeyDASOULIRFQZZOD-QGZVFWFLSA-N
XLogP3.83
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2857341
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2254096
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone;oxalic acid
CID 44667951
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine (CID 872916) is 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine is COc1cc(OC)c(OC)cc1CN1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is DASOULIRFQZZOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-23-18-12-20(25-3)19(24-2)11-16(18)14-22-10-5-4-8-17(22)15-7-6-9-21-13-15/h6-7,9,11-13,17H,4-5,8,10,14H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine?
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 342.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 872916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).