3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine

C22H28N2O2 — CID 40805651

IUPAC3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine
SMILESC=CCc1cc(OC)ccc1OCCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H28N2O2/c1-3-7-18-16-20(25-2)10-11-22(18)26-15-14-24-13-5-4-9-21(24)19-8-6-12-23-17-19/h3,6,8,10-12,16-17,21H,1,4-5,7,9,13-15H2,2H3/t21-/m1/s1
InChIKeyCPDRDUXZXMJPET-OAQYLSRUSA-N
MW352.48 g/mol
LogP4.42
Rot. Bonds8

About 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine

3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine (PubChem CID 40805651) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine
PubChem CID40805651
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine
SMILESC=CCc1cc(OC)ccc1OCCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H28N2O2/c1-3-7-18-16-20(25-2)10-11-22(18)26-15-14-24-13-5-4-9-21(24)19-8-6-12-23-17-19/h3,6,8,10-12,16-17,21H,1,4-5,7,9,13-15H2,2H3/t21-/m1/s1
InChIKeyCPDRDUXZXMJPET-OAQYLSRUSA-N
XLogP4.42
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine (CID 40805651) is 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine is C=CCc1cc(OC)ccc1OCCN1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine?
The InChIKey is CPDRDUXZXMJPET-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-7-18-16-20(25-2)10-11-22(18)26-15-14-24-13-5-4-9-21(24)19-8-6-12-23-17-19/h3,6,8,10-12,16-17,21H,1,4-5,7,9,13-15H2,2H3/t21-/m1/s1.
What are the key properties of 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine?
3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine has a molecular weight of 352.48 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 40805651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).