1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride

C19H21ClF3N — CID 3049036

IUPAC1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H20F3N.ClH/c20-19(21,22)18-10-4-8-16(12-18)17-9-5-11-23(14-17)13-15-6-2-1-3-7-15;/h1-4,6-8,10,12,17H,5,9,11,13-14H2;1H
InChIKeyAQZIMFXVNAIZRY-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.51
Rot. Bonds3

About 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride

1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 3049036) has the molecular formula C19H21ClF3N and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID3049036
Molecular FormulaC19H21ClF3N
Molecular Weight355.83 g/mol
Exact Mass355.13
IUPAC Name1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H20F3N.ClH/c20-19(21,22)18-10-4-8-16(12-18)17-9-5-11-23(14-17)13-15-6-2-1-3-7-15;/h1-4,6-8,10,12,17H,5,9,11,13-14H2;1H
InChIKeyAQZIMFXVNAIZRY-UHFFFAOYSA-N
XLogP5.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
(3R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]piperidine
CID 25174512
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 146135039
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 3049036) is 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride is Cl.FC(F)(F)c1cccc(C2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is AQZIMFXVNAIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N.ClH/c20-19(21,22)18-10-4-8-16(12-18)17-9-5-11-23(14-17)13-15-6-2-1-3-7-15;/h1-4,6-8,10,12,17H,5,9,11,13-14H2;1H.
What are the key properties of 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 3049036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).