3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine

C17H24N2O — CID 67001177

IUPAC3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine
SMILESCN1CCC(C=Cc2cncc(OCC3CC3)c2)CC1
InChIInChI=1S/C17H24N2O/c1-19-8-6-14(7-9-19)2-5-16-10-17(12-18-11-16)20-13-15-3-4-15/h2,5,10-12,14-15H,3-4,6-9,13H2,1H3
InChIKeyLNVRFUXBMGIFRW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.23
Rot. Bonds5

About 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine

3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine (PubChem CID 67001177) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine
PubChem CID67001177
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine
SMILESCN1CCC(C=Cc2cncc(OCC3CC3)c2)CC1
InChIInChI=1S/C17H24N2O/c1-19-8-6-14(7-9-19)2-5-16-10-17(12-18-11-16)20-13-15-3-4-15/h2,5,10-12,14-15H,3-4,6-9,13H2,1H3
InChIKeyLNVRFUXBMGIFRW-UHFFFAOYSA-N
XLogP3.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine?
The IUPAC name of 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine (CID 67001177) is 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine?
The canonical SMILES for 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine is CN1CCC(C=Cc2cncc(OCC3CC3)c2)CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine?
The InChIKey is LNVRFUXBMGIFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-8-6-14(7-9-19)2-5-16-10-17(12-18-11-16)20-13-15-3-4-15/h2,5,10-12,14-15H,3-4,6-9,13H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine?
3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine has a molecular weight of 272.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine is sourced from PubChem (CID 67001177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).