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

C16H24F3N5 — CID 71227518

IUPAC1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1(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-BZUNDVKYSA-N
MW343.40 g/mol
LogP2.31
Rot. Bonds2

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

1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (PubChem CID 71227518) has the molecular formula C16H24F3N5 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
PubChem CID71227518
Molecular FormulaC16H24F3N5
Molecular Weight343.40 g/mol
Exact Mass343.20
IUPAC Name1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1(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-BZUNDVKYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The IUPAC name of 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (CID 71227518) is 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is NC1CCCCC1(N)[C@H]1CCCN(c2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
The InChIKey is QVFZIIRXOGAVIL-BZUNDVKYSA-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 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?
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 1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 71227518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).