1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine

C16H22N4O — CID 120834427

IUPAC1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
SMILESCOc1ccccc1-n1nccc1CN1CCC(N)CC1
InChIInChI=1S/C16H22N4O/c1-21-16-5-3-2-4-15(16)20-14(6-9-18-20)12-19-10-7-13(17)8-11-19/h2-6,9,13H,7-8,10-12,17H2,1H3
InChIKeyVQXLWNJQPOQIPL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.80
Rot. Bonds4

About 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine

1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine (PubChem CID 120834427) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
PubChem CID120834427
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
SMILESCOc1ccccc1-n1nccc1CN1CCC(N)CC1
InChIInChI=1S/C16H22N4O/c1-21-16-5-3-2-4-15(16)20-14(6-9-18-20)12-19-10-7-13(17)8-11-19/h2-6,9,13H,7-8,10-12,17H2,1H3
InChIKeyVQXLWNJQPOQIPL-UHFFFAOYSA-N
XLogP1.80
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842677
(4aS,7aS)-6-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 139010341
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine (CID 120834427) is 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine is COc1ccccc1-n1nccc1CN1CCC(N)CC1.
What is the InChIKey of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine?
The InChIKey is VQXLWNJQPOQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-16-5-3-2-4-15(16)20-14(6-9-18-20)12-19-10-7-13(17)8-11-19/h2-6,9,13H,7-8,10-12,17H2,1H3.
What are the key properties of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine?
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120834427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).