1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole

C20H24N4O2 — CID 90748513

IUPAC1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole
SMILESCOc1cccc(OCC2CCN(Cn3nnc4ccccc43)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-25-17-5-4-6-18(13-17)26-14-16-9-11-23(12-10-16)15-24-20-8-3-2-7-19(20)21-22-24/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyPLRWJSHDYMHHPH-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.19
Rot. Bonds6

About 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole

1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole (PubChem CID 90748513) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole
PubChem CID90748513
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole
SMILESCOc1cccc(OCC2CCN(Cn3nnc4ccccc43)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-25-17-5-4-6-18(13-17)26-14-16-9-11-23(12-10-16)15-24-20-8-3-2-7-19(20)21-22-24/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyPLRWJSHDYMHHPH-UHFFFAOYSA-N
XLogP3.19
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 5184443
1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]benzotriazole
CID 22989612
(2R)-1-(benzotriazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 769663
1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
CID 73012311
3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
CID 141073783
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole
CID 22989594
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-ethoxyanilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
CID 3198229
1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole
CID 3839350
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole
CID 132514560

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole?
The IUPAC name of 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole (CID 90748513) is 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole.
What is the SMILES notation for 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole?
The canonical SMILES for 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole is COc1cccc(OCC2CCN(Cn3nnc4ccccc43)CC2)c1.
What is the InChIKey of 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole?
The InChIKey is PLRWJSHDYMHHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-25-17-5-4-6-18(13-17)26-14-16-9-11-23(12-10-16)15-24-20-8-3-2-7-19(20)21-22-24/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole?
1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole has a molecular weight of 352.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole is sourced from PubChem (CID 90748513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).