2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine

C16H24F3N5 — CID 78043228

IUPAC2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1NC1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H24F3N5/c17-16(18,19)14-8-22-15(9-21-14)24-7-3-4-11(10-24)23-13-6-2-1-5-12(13)20/h8-9,11-13,23H,1-7,10,20H2
InChIKeyUAWKLDSCWYUULT-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.32
Rot. Bonds3

About 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine

2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (PubChem CID 78043228) has the molecular formula C16H24F3N5 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
PubChem CID78043228
Molecular FormulaC16H24F3N5
Molecular Weight343.40 g/mol
Exact Mass343.20
IUPAC Name2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1NC1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H24F3N5/c17-16(18,19)14-8-22-15(9-21-14)24-7-3-4-11(10-24)23-13-6-2-1-5-12(13)20/h8-9,11-13,23H,1-7,10,20H2
InChIKeyUAWKLDSCWYUULT-UHFFFAOYSA-N
XLogP2.32
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (CID 78043228) is 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is NC1CCCCC1NC1CCCN(c2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The InChIKey is UAWKLDSCWYUULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5/c17-16(18,19)14-8-22-15(9-21-14)24-7-3-4-11(10-24)23-13-6-2-1-5-12(13)20/h8-9,11-13,23H,1-7,10,20H2.
What are the key properties of 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine has a molecular weight of 343.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 78043228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).