2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine

C21H28N2O2 — CID 22678532

IUPAC2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1ccccc1CCC1CCN(Cc2cccnc2OC)CC1
InChIInChI=1S/C21H28N2O2/c1-24-20-8-4-3-6-18(20)10-9-17-11-14-23(15-12-17)16-19-7-5-13-22-21(19)25-2/h3-8,13,17H,9-12,14-16H2,1-2H3
InChIKeyVGLSKAUPBOSJJV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.94
Rot. Bonds7

About 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine

2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 22678532) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
PubChem CID22678532
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1ccccc1CCC1CCN(Cc2cccnc2OC)CC1
InChIInChI=1S/C21H28N2O2/c1-24-20-8-4-3-6-18(20)10-9-17-11-14-23(15-12-17)16-19-7-5-13-22-21(19)25-2/h3-8,13,17H,9-12,14-16H2,1-2H3
InChIKeyVGLSKAUPBOSJJV-UHFFFAOYSA-N
XLogP3.94
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine
CID 22678701
N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline
CID 22678494
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
CID 82701884
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine (CID 22678532) is 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine is COc1ccccc1CCC1CCN(Cc2cccnc2OC)CC1.
What is the InChIKey of 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is VGLSKAUPBOSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-24-20-8-4-3-6-18(20)10-9-17-11-14-23(15-12-17)16-19-7-5-13-22-21(19)25-2/h3-8,13,17H,9-12,14-16H2,1-2H3.
What are the key properties of 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 340.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 22678532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).