N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C21H26N4 — CID 57446037

IUPACN-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(C)c1
InChIInChI=1S/C21H26N4/c1-15-5-6-17(16(2)10-15)13-25-9-3-4-20(14-25)23-19-7-8-21-18(11-19)12-22-24-21/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,22,24)
InChIKeyFHLWBDTURRAKOU-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.26
Rot. Bonds4

About N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 57446037) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID57446037
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(C)c1
InChIInChI=1S/C21H26N4/c1-15-5-6-17(16(2)10-15)13-25-9-3-4-20(14-25)23-19-7-8-21-18(11-19)12-22-24-21/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,22,24)
InChIKeyFHLWBDTURRAKOU-UHFFFAOYSA-N
XLogP4.26
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 57446037) is N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c(C)c1.
What is the InChIKey of N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is FHLWBDTURRAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-15-5-6-17(16(2)10-15)13-25-9-3-4-20(14-25)23-19-7-8-21-18(11-19)12-22-24-21/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 334.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 57446037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).