5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine

C16H23F3N2 — CID 64848014

IUPAC5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1(C)CNC(Cc2ccccc2)CN1CCC(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-15(2)12-20-14(10-13-6-4-3-5-7-13)11-21(15)9-8-16(17,18)19/h3-7,14,20H,8-12H2,1-2H3
InChIKeyAIKQWMNQDYXEFQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.23
Rot. Bonds4

About 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine

5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64848014) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64848014
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1(C)CNC(Cc2ccccc2)CN1CCC(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-15(2)12-20-14(10-13-6-4-3-5-7-13)11-21(15)9-8-16(17,18)19/h3-7,14,20H,8-12H2,1-2H3
InChIKeyAIKQWMNQDYXEFQ-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
5-benzyl-1-butyl-2,2-diethylpiperazine
CID 64850140
3-benzyl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519152
3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
CID 64848789
1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
CID 82248413
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984
2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518790
5-benzyl-2,2-diethyl-1-(2-methoxyethyl)piperazine
CID 64847634

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64848014) is 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine is CC1(C)CNC(Cc2ccccc2)CN1CCC(F)(F)F.
What is the InChIKey of 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is AIKQWMNQDYXEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-15(2)12-20-14(10-13-6-4-3-5-7-13)11-21(15)9-8-16(17,18)19/h3-7,14,20H,8-12H2,1-2H3.
What are the key properties of 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64848014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).