1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole

C16H24N4O — CID 22989612

IUPAC1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole
SMILESCOCC1CCN(CCCn2nnc3ccccc32)CC1
InChIInChI=1S/C16H24N4O/c1-21-13-14-7-11-19(12-8-14)9-4-10-20-16-6-3-2-5-15(16)17-18-20/h2-3,5-6,14H,4,7-13H2,1H3
InChIKeyQOZQYRYVSOOUOL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds6

About 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole

1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole (PubChem CID 22989612) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole.

Molecular Properties

Compound Name1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole
PubChem CID22989612
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole
SMILESCOCC1CCN(CCCn2nnc3ccccc32)CC1
InChIInChI=1S/C16H24N4O/c1-21-13-14-7-11-19(12-8-14)9-4-10-20-16-6-3-2-5-15(16)17-18-20/h2-3,5-6,14H,4,7-13H2,1H3
InChIKeyQOZQYRYVSOOUOL-UHFFFAOYSA-N
XLogP2.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole?
The IUPAC name of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole (CID 22989612) is 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole.
What is the SMILES notation for 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole?
The canonical SMILES for 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole is COCC1CCN(CCCn2nnc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole?
The InChIKey is QOZQYRYVSOOUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-21-13-14-7-11-19(12-8-14)9-4-10-20-16-6-3-2-5-15(16)17-18-20/h2-3,5-6,14H,4,7-13H2,1H3.
What are the key properties of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole?
1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole has a molecular weight of 288.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole is sourced from PubChem (CID 22989612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).