N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine

C17H25F3N4 — CID 123228464

IUPACN-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine
SMILESCC1CCCCC1NC1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H25F3N4/c1-12-5-2-3-7-14(12)23-13-6-4-8-24(11-13)16-10-21-15(9-22-16)17(18,19)20/h9-10,12-14,23H,2-8,11H2,1H3
InChIKeyQNIDTCMBSXACGS-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.63
Rot. Bonds3

About N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine

N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine (PubChem CID 123228464) has the molecular formula C17H25F3N4 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine
PubChem CID123228464
Molecular FormulaC17H25F3N4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC NameN-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine
SMILESCC1CCCCC1NC1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H25F3N4/c1-12-5-2-3-7-14(12)23-13-6-4-8-24(11-13)16-10-21-15(9-22-16)17(18,19)20/h9-10,12-14,23H,2-8,11H2,1H3
InChIKeyQNIDTCMBSXACGS-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine?
The IUPAC name of N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine (CID 123228464) is N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine?
The canonical SMILES for N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine is CC1CCCCC1NC1CCCN(c2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine?
The InChIKey is QNIDTCMBSXACGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4/c1-12-5-2-3-7-14(12)23-13-6-4-8-24(11-13)16-10-21-15(9-22-16)17(18,19)20/h9-10,12-14,23H,2-8,11H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine?
N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine has a molecular weight of 342.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine is sourced from PubChem (CID 123228464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).