[2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine

C23H29F3N4 — CID 90390288

IUPAC[2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
SMILESNCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C23H29F3N4/c24-23(25,26)19-8-6-18(7-9-19)21-14-17(16-27)15-22(28-21)30-12-10-29(11-13-30)20-4-2-1-3-5-20/h6-9,14-15,20H,1-5,10-13,16,27H2
InChIKeyMUCVWLGDYXPBQY-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.68
Rot. Bonds4

About [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine

[2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine (PubChem CID 90390288) has the molecular formula C23H29F3N4 and a molecular weight of 418.51 g/mol. Its IUPAC name is [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
PubChem CID90390288
Molecular FormulaC23H29F3N4
Molecular Weight418.51 g/mol
Exact Mass418.23
IUPAC Name[2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
SMILESNCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C23H29F3N4/c24-23(25,26)19-8-6-18(7-9-19)21-14-17(16-27)15-22(28-21)30-12-10-29(11-13-30)20-4-2-1-3-5-20/h6-9,14-15,20H,1-5,10-13,16,27H2
InChIKeyMUCVWLGDYXPBQY-UHFFFAOYSA-N
XLogP4.68
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine (CID 90390288) is [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine is NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
The InChIKey is MUCVWLGDYXPBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4/c24-23(25,26)19-8-6-18(7-9-19)21-14-17(16-27)15-22(28-21)30-12-10-29(11-13-30)20-4-2-1-3-5-20/h6-9,14-15,20H,1-5,10-13,16,27H2.
What are the key properties of [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine?
[2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine has a molecular weight of 418.51 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine is sourced from PubChem (CID 90390288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).