1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine

C13H19F3N4 — CID 114697798

IUPAC1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c3c2CC(C(F)(F)F)CC3)C1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)8-3-4-11-10(6-8)12(19-18-11)20-5-1-2-9(17)7-20/h8-9H,1-7,17H2,(H,18,19)
InChIKeyYWKWIYUWXMVHJD-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.00
Rot. Bonds1

About 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine

1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine (PubChem CID 114697798) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine
PubChem CID114697798
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c3c2CC(C(F)(F)F)CC3)C1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)8-3-4-11-10(6-8)12(19-18-11)20-5-1-2-9(17)7-20/h8-9H,1-7,17H2,(H,18,19)
InChIKeyYWKWIYUWXMVHJD-UHFFFAOYSA-N
XLogP2.00
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine (CID 114697798) is 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c3c2CC(C(F)(F)F)CC3)C1.
What is the InChIKey of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine?
The InChIKey is YWKWIYUWXMVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)8-3-4-11-10(6-8)12(19-18-11)20-5-1-2-9(17)7-20/h8-9H,1-7,17H2,(H,18,19).
What are the key properties of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine?
1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine has a molecular weight of 288.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 114697798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).