N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine

C19H30N4 — CID 155363516

IUPACN-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine
SMILESCC(C)N1CCC(n2ncc3cc(NC(C)(C)C)ccc32)CC1
InChIInChI=1S/C19H30N4/c1-14(2)22-10-8-17(9-11-22)23-18-7-6-16(21-19(3,4)5)12-15(18)13-20-23/h6-7,12-14,17,21H,8-11H2,1-5H3
InChIKeyPZSVAQGGNQNOPC-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.29
Rot. Bonds3

About N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine

N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine (PubChem CID 155363516) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine
PubChem CID155363516
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC NameN-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine
SMILESCC(C)N1CCC(n2ncc3cc(NC(C)(C)C)ccc32)CC1
InChIInChI=1S/C19H30N4/c1-14(2)22-10-8-17(9-11-22)23-18-7-6-16(21-19(3,4)5)12-15(18)13-20-23/h6-7,12-14,17,21H,8-11H2,1-5H3
InChIKeyPZSVAQGGNQNOPC-UHFFFAOYSA-N
XLogP4.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine?
The IUPAC name of N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine (CID 155363516) is N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine.
What is the SMILES notation for N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine?
The canonical SMILES for N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine is CC(C)N1CCC(n2ncc3cc(NC(C)(C)C)ccc32)CC1.
What is the InChIKey of N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine?
The InChIKey is PZSVAQGGNQNOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-14(2)22-10-8-17(9-11-22)23-18-7-6-16(21-19(3,4)5)12-15(18)13-20-23/h6-7,12-14,17,21H,8-11H2,1-5H3.
What are the key properties of N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine?
N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine has a molecular weight of 314.48 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine is sourced from PubChem (CID 155363516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).