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

C20H24N4 — CID 21098523

IUPACN-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H24N4/c1-15-4-6-16(7-5-15)13-24-10-2-3-19(14-24)22-18-8-9-20-17(11-18)12-21-23-20/h4-9,11-12,19,22H,2-3,10,13-14H2,1H3,(H,21,23)
InChIKeyJLWTUPLIJAHTKE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.95
Rot. Bonds4

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

N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 21098523) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID21098523
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H24N4/c1-15-4-6-16(7-5-15)13-24-10-2-3-19(14-24)22-18-8-9-20-17(11-18)12-21-23-20/h4-9,11-12,19,22H,2-3,10,13-14H2,1H3,(H,21,23)
InChIKeyJLWTUPLIJAHTKE-UHFFFAOYSA-N
XLogP3.95
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 21098523) is N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is JLWTUPLIJAHTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-4-6-16(7-5-15)13-24-10-2-3-19(14-24)22-18-8-9-20-17(11-18)12-21-23-20/h4-9,11-12,19,22H,2-3,10,13-14H2,1H3,(H,21,23).
What are the key properties of N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 320.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 21098523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).