2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine

C18H21ClN2O — CID 155542094

IUPAC2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESClc1cccc(CC2(COc3ccccn3)CCCNC2)c1
InChIInChI=1S/C18H21ClN2O/c19-16-6-3-5-15(11-16)12-18(8-4-9-20-13-18)14-22-17-7-1-2-10-21-17/h1-3,5-7,10-11,20H,4,8-9,12-14H2
InChIKeyNUODWARHHUVTFV-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.73
Rot. Bonds5

About 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine

2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 155542094) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID155542094
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESClc1cccc(CC2(COc3ccccn3)CCCNC2)c1
InChIInChI=1S/C18H21ClN2O/c19-16-6-3-5-15(11-16)12-18(8-4-9-20-13-18)14-22-17-7-1-2-10-21-17/h1-3,5-7,10-11,20H,4,8-9,12-14H2
InChIKeyNUODWARHHUVTFV-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine (CID 155542094) is 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine is Clc1cccc(CC2(COc3ccccn3)CCCNC2)c1.
What is the InChIKey of 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is NUODWARHHUVTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-16-6-3-5-15(11-16)12-18(8-4-9-20-13-18)14-22-17-7-1-2-10-21-17/h1-3,5-7,10-11,20H,4,8-9,12-14H2.
What are the key properties of 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine has a molecular weight of 316.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 155542094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).