2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine

C17H19ClN2O — CID 11141197

IUPAC2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
SMILESClc1ccc(C(OC2CCNCC2)c2ccccn2)cc1
InChIInChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2
InChIKeyOTZYADIPHOGUDN-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.59
Rot. Bonds4

About 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine

2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine (PubChem CID 11141197) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
PubChem CID11141197
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
SMILESClc1ccc(C(OC2CCNCC2)c2ccccn2)cc1
InChIInChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2
InChIKeyOTZYADIPHOGUDN-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine (CID 11141197) is 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine is Clc1ccc(C(OC2CCNCC2)c2ccccn2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
The InChIKey is OTZYADIPHOGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2.
What are the key properties of 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine?
2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine has a molecular weight of 302.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine is sourced from PubChem (CID 11141197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).