[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine

C14H21F3N4 — CID 62968036

IUPAC[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N4/c1-10-7-11(2)19-13(12(10)8-18)21-5-3-20(4-6-21)9-14(15,16)17/h7H,3-6,8-9,18H2,1-2H3
InChIKeyBCBZSWXTFATLKZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.84
Rot. Bonds3

About [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine

[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine (PubChem CID 62968036) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine
PubChem CID62968036
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C14H21F3N4/c1-10-7-11(2)19-13(12(10)8-18)21-5-3-20(4-6-21)9-14(15,16)17/h7H,3-6,8-9,18H2,1-2H3
InChIKeyBCBZSWXTFATLKZ-UHFFFAOYSA-N
XLogP1.84
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine (CID 62968036) is [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is BCBZSWXTFATLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-10-7-11(2)19-13(12(10)8-18)21-5-3-20(4-6-21)9-14(15,16)17/h7H,3-6,8-9,18H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine?
[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 62968036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).