1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine

C14H24N4 — CID 114697654

IUPAC1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine
SMILESCC1(C)CCc2[nH]nc(N3CCC(N)CC3)c2C1
InChIInChI=1S/C14H24N4/c1-14(2)6-3-12-11(9-14)13(17-16-12)18-7-4-10(15)5-8-18/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyAGWOKOKLCODZRL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.85
Rot. Bonds1

About 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine

1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine (PubChem CID 114697654) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine
PubChem CID114697654
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine
SMILESCC1(C)CCc2[nH]nc(N3CCC(N)CC3)c2C1
InChIInChI=1S/C14H24N4/c1-14(2)6-3-12-11(9-14)13(17-16-12)18-7-4-10(15)5-8-18/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyAGWOKOKLCODZRL-UHFFFAOYSA-N
XLogP1.85
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine?
The IUPAC name of 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine (CID 114697654) is 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine is CC1(C)CCc2[nH]nc(N3CCC(N)CC3)c2C1.
What is the InChIKey of 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine?
The InChIKey is AGWOKOKLCODZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(2)6-3-12-11(9-14)13(17-16-12)18-7-4-10(15)5-8-18/h10H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine?
1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-1,4,6,7-tetrahydroindazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 114697654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).