2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine

C23H28F3N — CID 56999999

IUPAC2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine
SMILESFC(F)(F)c1cccc(CCCCN2CCCCC2Cc2ccccc2)c1
InChIInChI=1S/C23H28F3N/c24-23(25,26)21-13-8-12-19(17-21)11-4-6-15-27-16-7-5-14-22(27)18-20-9-2-1-3-10-20/h1-3,8-10,12-13,17,22H,4-7,11,14-16,18H2
InChIKeyMGYZOFJTFBRKQO-UHFFFAOYSA-N
MW375.48 g/mol
LogP6.13
Rot. Bonds7

About 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine

2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine (PubChem CID 56999999) has the molecular formula C23H28F3N and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine.

Molecular Properties

Compound Name2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine
PubChem CID56999999
Molecular FormulaC23H28F3N
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine
SMILESFC(F)(F)c1cccc(CCCCN2CCCCC2Cc2ccccc2)c1
InChIInChI=1S/C23H28F3N/c24-23(25,26)21-13-8-12-19(17-21)11-4-6-15-27-16-7-5-14-22(27)18-20-9-2-1-3-10-20/h1-3,8-10,12-13,17,22H,4-7,11,14-16,18H2
InChIKeyMGYZOFJTFBRKQO-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-[4-[2-(trifluoromethyl)phenoxy]butyl]piperidine;hydrobromide
CID 18621592
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
CID 52813145
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
[(2S,4S)-2-benzyl-4-[3-[3-(trifluoromethyl)phenyl]propylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57161044
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881552

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine?
The IUPAC name of 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine (CID 56999999) is 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine.
What is the SMILES notation for 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine?
The canonical SMILES for 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine is FC(F)(F)c1cccc(CCCCN2CCCCC2Cc2ccccc2)c1.
What is the InChIKey of 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine?
The InChIKey is MGYZOFJTFBRKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N/c24-23(25,26)21-13-8-12-19(17-21)11-4-6-15-27-16-7-5-14-22(27)18-20-9-2-1-3-10-20/h1-3,8-10,12-13,17,22H,4-7,11,14-16,18H2.
What are the key properties of 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine?
2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine has a molecular weight of 375.48 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[4-[3-(trifluoromethyl)phenyl]butyl]piperidine is sourced from PubChem (CID 56999999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).