N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine

C20H24N4 — CID 46889747

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine
SMILESc1ccc(CN2CCC(CNc3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H24N4/c1-2-6-17(7-3-1)15-24-12-10-16(11-13-24)14-21-20-18-8-4-5-9-19(18)22-23-20/h1-9,16H,10-15H2,(H2,21,22,23)
InChIKeyYAQNHPBYWUEFCO-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.89
Rot. Bonds5

About N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine

N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine (PubChem CID 46889747) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine
PubChem CID46889747
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine
SMILESc1ccc(CN2CCC(CNc3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H24N4/c1-2-6-17(7-3-1)15-24-12-10-16(11-13-24)14-21-20-18-8-4-5-9-19(18)22-23-20/h1-9,16H,10-15H2,(H2,21,22,23)
InChIKeyYAQNHPBYWUEFCO-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine (CID 46889747) is N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine is c1ccc(CN2CCC(CNc3n[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine?
The InChIKey is YAQNHPBYWUEFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-6-17(7-3-1)15-24-12-10-16(11-13-24)14-21-20-18-8-4-5-9-19(18)22-23-20/h1-9,16H,10-15H2,(H2,21,22,23).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine?
N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine has a molecular weight of 320.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-1H-indazol-3-amine is sourced from PubChem (CID 46889747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).