N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine

C14H20N4 — CID 62657519

IUPACN-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine
SMILESCN1CCC(CNc2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H20N4/c1-18-7-5-11(6-8-18)9-15-13-4-2-3-12-10-16-17-14(12)13/h2-4,10-11,15H,5-9H2,1H3,(H,16,17)
InChIKeyDZQSRHYIYLYZJB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds3

About N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine

N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine (PubChem CID 62657519) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine
PubChem CID62657519
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine
SMILESCN1CCC(CNc2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H20N4/c1-18-7-5-11(6-8-18)9-15-13-4-2-3-12-10-16-17-14(12)13/h2-4,10-11,15H,5-9H2,1H3,(H,16,17)
InChIKeyDZQSRHYIYLYZJB-UHFFFAOYSA-N
XLogP2.32
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine (CID 62657519) is N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine is CN1CCC(CNc2cccc3cn[nH]c23)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine?
The InChIKey is DZQSRHYIYLYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-18-7-5-11(6-8-18)9-15-13-4-2-3-12-10-16-17-14(12)13/h2-4,10-11,15H,5-9H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine?
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine has a molecular weight of 244.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 62657519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).