3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine

C17H18Cl2N2O — CID 45270571

IUPAC3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1cc(Cl)cc(OC(c2cccnc2)C2CCNCC2)c1
InChIInChI=1S/C17H18Cl2N2O/c18-14-8-15(19)10-16(9-14)22-17(12-3-6-20-7-4-12)13-2-1-5-21-11-13/h1-2,5,8-12,17,20H,3-4,6-7H2
InChIKeyRMVVWYWHBYZSBH-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.51
Rot. Bonds4

About 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine

3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45270571) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45270571
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1cc(Cl)cc(OC(c2cccnc2)C2CCNCC2)c1
InChIInChI=1S/C17H18Cl2N2O/c18-14-8-15(19)10-16(9-14)22-17(12-3-6-20-7-4-12)13-2-1-5-21-11-13/h1-2,5,8-12,17,20H,3-4,6-7H2
InChIKeyRMVVWYWHBYZSBH-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine (CID 45270571) is 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine is Clc1cc(Cl)cc(OC(c2cccnc2)C2CCNCC2)c1.
What is the InChIKey of 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is RMVVWYWHBYZSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-14-8-15(19)10-16(9-14)22-17(12-3-6-20-7-4-12)13-2-1-5-21-11-13/h1-2,5,8-12,17,20H,3-4,6-7H2.
What are the key properties of 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 337.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45270571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).