3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine

C21H28N2O2 — CID 86921160

IUPAC3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cc(CCC2CCN(Cc3cccnc3)CC2)cc(OC)c1
InChIInChI=1S/C21H28N2O2/c1-24-20-12-18(13-21(14-20)25-2)6-5-17-7-10-23(11-8-17)16-19-4-3-9-22-15-19/h3-4,9,12-15,17H,5-8,10-11,16H2,1-2H3
InChIKeyFRHFXLWTAIWVCX-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.94
Rot. Bonds7

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

3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 86921160) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
PubChem CID86921160
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cc(CCC2CCN(Cc3cccnc3)CC2)cc(OC)c1
InChIInChI=1S/C21H28N2O2/c1-24-20-12-18(13-21(14-20)25-2)6-5-17-7-10-23(11-8-17)16-19-4-3-9-22-15-19/h3-4,9,12-15,17H,5-8,10-11,16H2,1-2H3
InChIKeyFRHFXLWTAIWVCX-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-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-4-methyl-5-pyridin-3-yl-1,2,4-triazole-3-thione
CID 24606194
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902600
(6S)-1-[(3-methoxyphenyl)methyl]-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6-dihydro-2H-azepin-7-one
CID 92621448
3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
CID 75451917
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine (CID 86921160) is 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine is COc1cc(CCC2CCN(Cc3cccnc3)CC2)cc(OC)c1.
What is the InChIKey of 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is FRHFXLWTAIWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-24-20-12-18(13-21(14-20)25-2)6-5-17-7-10-23(11-8-17)16-19-4-3-9-22-15-19/h3-4,9,12-15,17H,5-8,10-11,16H2,1-2H3.
What are the key properties of 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine?
3-[[4-[2-(3,5-dimethoxyphenyl)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 3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 86921160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).