1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine

C16H22F3N3 — CID 154771446

IUPAC1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
SMILESCN1CCN(C2CCN(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C16H22F3N3/c1-20-7-9-21(10-8-20)15-5-6-22(12-15)14-4-2-3-13(11-14)16(17,18)19/h2-4,11,15H,5-10,12H2,1H3
InChIKeyAIHZBJRRCUDGIU-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.53
Rot. Bonds2

About 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine

1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine (PubChem CID 154771446) has the molecular formula C16H22F3N3 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
PubChem CID154771446
Molecular FormulaC16H22F3N3
Molecular Weight313.37 g/mol
Exact Mass313.18
IUPAC Name1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
SMILESCN1CCN(C2CCN(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C16H22F3N3/c1-20-7-9-21(10-8-20)15-5-6-22(12-15)14-4-2-3-13(11-14)16(17,18)19/h2-4,11,15H,5-10,12H2,1H3
InChIKeyAIHZBJRRCUDGIU-UHFFFAOYSA-N
XLogP2.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45213688
1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29150756
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 30983731
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine (CID 154771446) is 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine is CN1CCN(C2CCN(c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine?
The InChIKey is AIHZBJRRCUDGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3/c1-20-7-9-21(10-8-20)15-5-6-22(12-15)14-4-2-3-13(11-14)16(17,18)19/h2-4,11,15H,5-10,12H2,1H3.
What are the key properties of 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine?
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine has a molecular weight of 313.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 154771446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).