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

C16H24F3N5 — CID 71226814

IUPACcis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@@]1(N)[C@H]1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H24F3N5/c17-16(18,19)13-8-23-14(9-22-13)24-7-3-4-11(10-24)15(21)6-2-1-5-12(15)20/h8-9,11-12H,1-7,10,20-21H2/t11-,12+,15+/m0/s1
InChIKeyQVFZIIRXOGAVIL-YWPYICTPSA-N
MW343.40 g/mol
LogP2.31
Rot. Bonds2

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

cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (PubChem CID 71226814) has the molecular formula C16H24F3N5 and a molecular weight of 343.40 g/mol. Its IUPAC name is cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
PubChem CID71226814
Molecular FormulaC16H24F3N5
Molecular Weight343.40 g/mol
Exact Mass343.20
IUPAC Namecis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@@]1(N)[C@H]1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H24F3N5/c17-16(18,19)13-8-23-14(9-22-13)24-7-3-4-11(10-24)15(21)6-2-1-5-12(15)20/h8-9,11-12H,1-7,10,20-21H2/t11-,12+,15+/m0/s1
InChIKeyQVFZIIRXOGAVIL-YWPYICTPSA-N
XLogP2.31
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,4S,6S)-3-azabicyclo[4.1.0]hept-4-ylmethyl]-5-(trifluoromethyl)-2-pyrazinamine
CID 59396007
N-[[(4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 66636898
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 70227072
1-[1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71227298
1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71227518
(1R,2R)-N1-((S)-1-(5-(trifluoromethyl)pyrazin-2-yl)piperidin-3-yl)cyclohexane-1,2-diamine
CID 71233138
(1R,2R)-2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233139
N-(3-azabicyclo[4.1.0]heptan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 72287423
2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 78043228
2-N-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 89686637
N-(2-methylcyclohexyl)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-amine
CID 123228464
N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide
CID 130298582

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (CID 71226814) is cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@@]1(N)[C@H]1CCCN(c2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The InChIKey is QVFZIIRXOGAVIL-YWPYICTPSA-N. The full InChI is InChI=1S/C16H24F3N5/c17-16(18,19)13-8-23-14(9-22-13)24-7-3-4-11(10-24)15(21)6-2-1-5-12(15)20/h8-9,11-12H,1-7,10,20-21H2/t11-,12+,15+/m0/s1.
What are the key properties of cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine has a molecular weight of 343.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 71226814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).