1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine

C15H24N4O2 — CID 103173612

IUPAC1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
SMILESCOc1ccnc(CN2CC(N3CCNCC3)C2)c1OC
InChIInChI=1S/C15H24N4O2/c1-20-14-3-4-17-13(15(14)21-2)11-18-9-12(10-18)19-7-5-16-6-8-19/h3-4,12,16H,5-11H2,1-2H3
InChIKeyFDDCJDYXOCHWCW-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.19
Rot. Bonds5

About 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine

1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine (PubChem CID 103173612) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
PubChem CID103173612
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
SMILESCOc1ccnc(CN2CC(N3CCNCC3)C2)c1OC
InChIInChI=1S/C15H24N4O2/c1-20-14-3-4-17-13(15(14)21-2)11-18-9-12(10-18)19-7-5-16-6-8-19/h3-4,12,16H,5-11H2,1-2H3
InChIKeyFDDCJDYXOCHWCW-UHFFFAOYSA-N
XLogP0.19
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine (CID 103173612) is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine is COc1ccnc(CN2CC(N3CCNCC3)C2)c1OC.
What is the InChIKey of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine?
The InChIKey is FDDCJDYXOCHWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-20-14-3-4-17-13(15(14)21-2)11-18-9-12(10-18)19-7-5-16-6-8-19/h3-4,12,16H,5-11H2,1-2H3.
What are the key properties of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine?
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine has a molecular weight of 292.38 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 103173612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).