1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

C19H17ClF3N — CID 3054979

IUPAC1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1cc(C2=CCCN(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C19H17ClF3N/c20-18-9-8-15(11-17(18)19(21,22)23)16-7-4-10-24(13-16)12-14-5-2-1-3-6-14/h1-3,5-9,11H,4,10,12-13H2
InChIKeySKPBDHWUNATPEL-UHFFFAOYSA-N
MW351.80 g/mol
LogP5.65
Rot. Bonds3

About 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (PubChem CID 3054979) has the molecular formula C19H17ClF3N and a molecular weight of 351.80 g/mol. Its IUPAC name is 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
PubChem CID3054979
Molecular FormulaC19H17ClF3N
Molecular Weight351.80 g/mol
Exact Mass351.10
IUPAC Name1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1cc(C2=CCCN(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C19H17ClF3N/c20-18-9-8-15(11-17(18)19(21,22)23)16-7-4-10-24(13-16)12-14-5-2-1-3-6-14/h1-3,5-9,11H,4,10,12-13H2
InChIKeySKPBDHWUNATPEL-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.80
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10782419
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1-(4-Chlorobenzyl)-4-phenylpiperidine
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1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
1-Benzyl-4-[(4-chlorophenyl)methyl]piperazine
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1-Benzyl-4-[(2-chlorophenyl)methyl]piperazine
CID 764825
4-Benzyl-1-(3-chlorobenzyl)piperidine
CID 785748
4-Benzyl-1-(2-chlorobenzyl)piperidine
CID 1377195
[4-[2-Chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 82039681
1-[(4-Chlorophenyl)methyl]-4,4-difluoro-3-[2-(2-fluorophenyl)ethyl]piperidine
CID 134145321
1-[(4-Chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine
CID 134154411
1-[(4-Chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
CID 134155840

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (CID 3054979) is 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is FC(F)(F)c1cc(C2=CCCN(Cc3ccccc3)C2)ccc1Cl.
What is the InChIKey of 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is SKPBDHWUNATPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N/c20-18-9-8-15(11-17(18)19(21,22)23)16-7-4-10-24(13-16)12-14-5-2-1-3-6-14/h1-3,5-9,11H,4,10,12-13H2.
What are the key properties of 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 351.80 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3054979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).