2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine

C11H21F3N2 — CID 64846379

IUPAC2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCCC1CN(CCC(F)(F)F)C(C)CN1
InChIInChI=1S/C11H21F3N2/c1-3-4-10-8-16(9(2)7-15-10)6-5-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyQYNMWCJLKDATNA-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine

2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64846379) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64846379
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCCC1CN(CCC(F)(F)F)C(C)CN1
InChIInChI=1S/C11H21F3N2/c1-3-4-10-8-16(9(2)7-15-10)6-5-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyQYNMWCJLKDATNA-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80697266
2-cyclopropyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64840726
1-(2-methoxyethyl)-2-methyl-5-propylpiperazine
CID 64846555
1-(2-butoxyethyl)-2-methyl-5-propylpiperazine
CID 64846186
1-(2-ethylbutyl)-2-methyl-5-propylpiperazine
CID 82923566
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
2-methyl-1-(2-methyl-2-methylsulfonylpropyl)-5-propylpiperazine
CID 79549772
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine
CID 64940682
2-methyl-1-[(1-methylcyclopentyl)methyl]-5-propylpiperazine
CID 64942183
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839560
1-(3-chloro-2-methylprop-2-enyl)-2-methyl-5-propylpiperazine
CID 106440351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64846379) is 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine is CCCC1CN(CCC(F)(F)F)C(C)CN1.
What is the InChIKey of 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is QYNMWCJLKDATNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-4-10-8-16(9(2)7-15-10)6-5-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine?
2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64846379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).