(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid

C14H18F3N3O3 — CID 71396472

IUPAC(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCN(C)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O.C2HF3O2/c1-10-3-4-11(9-13-10)12(16)15-7-5-14(2)6-8-15;3-2(4,5)1(6)7/h3-4,9H,5-8H2,1-2H3;(H,6,7)
InChIKeyAHVQNRWSSHDIQK-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.41
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid

(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 71396472) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
PubChem CID71396472
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCN(C)CC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O.C2HF3O2/c1-10-3-4-11(9-13-10)12(16)15-7-5-14(2)6-8-15;3-2(4,5)1(6)7/h3-4,9H,5-8H2,1-2H3;(H,6,7)
InChIKeyAHVQNRWSSHDIQK-UHFFFAOYSA-N
XLogP1.41
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(6-methyl-3-pyridinyl)-(1-prop-2-enyl-1,8-diazaspiro[4.5]decan-8-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155823731
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56822431
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 30290633
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]ethanethioamide
CID 55203104
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid (CID 71396472) is (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)N2CCN(C)CC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is AHVQNRWSSHDIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.C2HF3O2/c1-10-3-4-11(9-13-10)12(16)15-7-5-14(2)6-8-15;3-2(4,5)1(6)7/h3-4,9H,5-8H2,1-2H3;(H,6,7).
What are the key properties of (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 333.31 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71396472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).