1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

C12H22F3N3 — CID 63714384

IUPAC1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1CNCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-10-6-16-7-11(10)8-17-2-4-18(5-3-17)9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyRIHVGVDGFAUFBQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.02
Rot. Bonds3

About 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 63714384) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID63714384
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1CNCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-10-6-16-7-11(10)8-17-2-4-18(5-3-17)9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyRIHVGVDGFAUFBQ-UHFFFAOYSA-N
XLogP1.02
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 63714384) is 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is CC1CNCC1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is RIHVGVDGFAUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-10-6-16-7-11(10)8-17-2-4-18(5-3-17)9-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 265.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 63714384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).