4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine

C14H21N3O — CID 156610743

IUPAC4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine
SMILESCOC1CN(C2CCNCC2)C1c1ccncc1
InChIInChI=1S/C14H21N3O/c1-18-13-10-17(12-4-8-16-9-5-12)14(13)11-2-6-15-7-3-11/h2-3,6-7,12-14,16H,4-5,8-10H2,1H3
InChIKeyKTLFQINJTCPHFR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.21
Rot. Bonds3

About 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine

4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine (PubChem CID 156610743) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine.

Molecular Properties

Compound Name4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine
PubChem CID156610743
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine
SMILESCOC1CN(C2CCNCC2)C1c1ccncc1
InChIInChI=1S/C14H21N3O/c1-18-13-10-17(12-4-8-16-9-5-12)14(13)11-2-6-15-7-3-11/h2-3,6-7,12-14,16H,4-5,8-10H2,1H3
InChIKeyKTLFQINJTCPHFR-UHFFFAOYSA-N
XLogP1.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine?
The IUPAC name of 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine (CID 156610743) is 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine.
What is the SMILES notation for 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine?
The canonical SMILES for 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine is COC1CN(C2CCNCC2)C1c1ccncc1.
What is the InChIKey of 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine?
The InChIKey is KTLFQINJTCPHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-13-10-17(12-4-8-16-9-5-12)14(13)11-2-6-15-7-3-11/h2-3,6-7,12-14,16H,4-5,8-10H2,1H3.
What are the key properties of 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine?
4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine has a molecular weight of 247.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine is sourced from PubChem (CID 156610743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).