1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine

C18H26N2O — CID 70920175

IUPAC1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine
SMILESCN1CCCC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O/c1-19-11-5-8-18(15-19)21-17-9-12-20(13-10-17)14-16-6-3-2-4-7-16/h2-4,6-7,9,18H,5,8,10-15H2,1H3
InChIKeyUPQUOUYTDFJUJW-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.89
Rot. Bonds4

About 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine

1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine (PubChem CID 70920175) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine
PubChem CID70920175
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine
SMILESCN1CCCC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O/c1-19-11-5-8-18(15-19)21-17-9-12-20(13-10-17)14-16-6-3-2-4-7-16/h2-4,6-7,9,18H,5,8,10-15H2,1H3
InChIKeyUPQUOUYTDFJUJW-UHFFFAOYSA-N
XLogP2.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine (CID 70920175) is 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine is CN1CCCC(OC2=CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine?
The InChIKey is UPQUOUYTDFJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-11-5-8-18(15-19)21-17-9-12-20(13-10-17)14-16-6-3-2-4-7-16/h2-4,6-7,9,18H,5,8,10-15H2,1H3.
What are the key properties of 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine?
1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine has a molecular weight of 286.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70920175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).