2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine

C14H20N4O — CID 91108546

IUPAC2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
SMILESCOCC1CNCCN1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C14H20N4O/c1-19-10-13-8-16-4-5-18(13)9-12-6-11-7-15-3-2-14(11)17-12/h2-3,6-7,13,16-17H,4-5,8-10H2,1H3
InChIKeyGYJZTIGLWJLGEE-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.98
Rot. Bonds4

About 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine

2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 91108546) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
PubChem CID91108546
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine
SMILESCOCC1CNCCN1Cc1cc2cnccc2[nH]1
InChIInChI=1S/C14H20N4O/c1-19-10-13-8-16-4-5-18(13)9-12-6-11-7-15-3-2-14(11)17-12/h2-3,6-7,13,16-17H,4-5,8-10H2,1H3
InChIKeyGYJZTIGLWJLGEE-UHFFFAOYSA-N
XLogP0.98
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine (CID 91108546) is 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine is COCC1CNCCN1Cc1cc2cnccc2[nH]1.
What is the InChIKey of 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is GYJZTIGLWJLGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-10-13-8-16-4-5-18(13)9-12-6-11-7-15-3-2-14(11)17-12/h2-3,6-7,13,16-17H,4-5,8-10H2,1H3.
What are the key properties of 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine?
2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 260.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)piperazin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 91108546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).