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

C21H28N2O3 — CID 71784848

IUPAC3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cc(COCC2CCN(Cc3cccnc3)CC2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-10-19(11-21(12-20)25-2)16-26-15-17-5-8-23(9-6-17)14-18-4-3-7-22-13-18/h3-4,7,10-13,17H,5-6,8-9,14-16H2,1-2H3
InChIKeyJKLKDVHWKDAPCZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.53
Rot. Bonds8

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

3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 71784848) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
PubChem CID71784848
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cc(COCC2CCN(Cc3cccnc3)CC2)cc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-10-19(11-21(12-20)25-2)16-26-15-17-5-8-23(9-6-17)14-18-4-3-7-22-13-18/h3-4,7,10-13,17H,5-6,8-9,14-16H2,1-2H3
InChIKeyJKLKDVHWKDAPCZ-UHFFFAOYSA-N
XLogP3.53
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine (CID 71784848) is 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine is COc1cc(COCC2CCN(Cc3cccnc3)CC2)cc(OC)c1.
What is the InChIKey of 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is JKLKDVHWKDAPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-24-20-10-19(11-21(12-20)25-2)16-26-15-17-5-8-23(9-6-17)14-18-4-3-7-22-13-18/h3-4,7,10-13,17H,5-6,8-9,14-16H2,1-2H3.
What are the key properties of 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 356.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 71784848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).