1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C15H21N5O — CID 102794329

IUPAC1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCOc1ccccc1Cc1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-21-13-7-3-2-5-11(13)9-14-17-15(19-18-14)20-8-4-6-12(16)10-20/h2-3,5,7,12H,4,6,8-10,16H2,1H3,(H,17,18,19)
InChIKeyRFFKIASHWFRXQH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.33
Rot. Bonds4

About 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine

1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794329) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794329
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCOc1ccccc1Cc1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-21-13-7-3-2-5-11(13)9-14-17-15(19-18-14)20-8-4-6-12(16)10-20/h2-3,5,7,12H,4,6,8-10,16H2,1H3,(H,17,18,19)
InChIKeyRFFKIASHWFRXQH-UHFFFAOYSA-N
XLogP1.33
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794233
1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794186
1-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793350
1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793818
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
[1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799823
(3S)-1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797858
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799796
1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799675

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794329) is 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine is COc1ccccc1Cc1nc(N2CCCC(N)C2)n[nH]1.
What is the InChIKey of 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is RFFKIASHWFRXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-13-7-3-2-5-11(13)9-14-17-15(19-18-14)20-8-4-6-12(16)10-20/h2-3,5,7,12H,4,6,8-10,16H2,1H3,(H,17,18,19).
What are the key properties of 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 287.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).