N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine

C20H24N4 — CID 18447335

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine
SMILESc1ccc(CCN2CCC(Nc3cccc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C20H24N4/c1-2-5-16(6-3-1)9-12-24-13-10-17(11-14-24)22-19-7-4-8-20-18(19)15-21-23-20/h1-8,15,17,22H,9-14H2,(H,21,23)
InChIKeyHQBCSCSMGCUOTO-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine

N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine (PubChem CID 18447335) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine
PubChem CID18447335
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine
SMILESc1ccc(CCN2CCC(Nc3cccc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C20H24N4/c1-2-5-16(6-3-1)9-12-24-13-10-17(11-14-24)22-19-7-4-8-20-18(19)15-21-23-20/h1-8,15,17,22H,9-14H2,(H,21,23)
InChIKeyHQBCSCSMGCUOTO-UHFFFAOYSA-N
XLogP3.68
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1H-indazol-4-amine
CID 103439210
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-cycloheptyl-1H-indazol-4-amine
CID 54865782
1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 60797118
N-(3-methylcyclobutyl)-1H-indazol-4-amine
CID 103561699
N-(3-methylcyclopentyl)-1H-indazol-4-amine
CID 64501114
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
N-(4-ethylcycloheptyl)-1H-indazol-4-amine
CID 65083545
N-(3-propan-2-ylcyclobutyl)-1H-indazol-4-amine
CID 103561698
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine
CID 60931253

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine (CID 18447335) is N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine is c1ccc(CCN2CCC(Nc3cccc4[nH]ncc34)CC2)cc1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine?
The InChIKey is HQBCSCSMGCUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-5-16(6-3-1)9-12-24-13-10-17(11-14-24)22-19-7-4-8-20-18(19)15-21-23-20/h1-8,15,17,22H,9-14H2,(H,21,23).
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine?
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine has a molecular weight of 320.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine is sourced from PubChem (CID 18447335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).