4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine

C21H28N2O — CID 59734548

IUPAC4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine
SMILESCC(C)c1ccc(OCC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)20-3-5-21(6-4-20)24-16-19-9-13-23(14-10-19)15-18-7-11-22-12-8-18/h3-8,11-12,17,19H,9-10,13-16H2,1-2H3
InChIKeyJXERYXPKNADHRV-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.50
Rot. Bonds6

About 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine

4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine (PubChem CID 59734548) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine
PubChem CID59734548
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine
SMILESCC(C)c1ccc(OCC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-17(2)20-3-5-21(6-4-20)24-16-19-9-13-23(14-10-19)15-18-7-11-22-12-8-18/h3-8,11-12,17,19H,9-10,13-16H2,1-2H3
InChIKeyJXERYXPKNADHRV-UHFFFAOYSA-N
XLogP4.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine (CID 59734548) is 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine is CC(C)c1ccc(OCC2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is JXERYXPKNADHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(2)20-3-5-21(6-4-20)24-16-19-9-13-23(14-10-19)15-18-7-11-22-12-8-18/h3-8,11-12,17,19H,9-10,13-16H2,1-2H3.
What are the key properties of 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 324.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 59734548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).