4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C24H25F3N2 — CID 149469691

IUPAC4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(C3=C(Cc4ccccc4)C=NC3)CC2)cc1
InChIInChI=1S/C24H25F3N2/c25-24(26,27)22-8-6-19(7-9-22)17-29-12-10-20(11-13-29)23-16-28-15-21(23)14-18-4-2-1-3-5-18/h1-9,15,20H,10-14,16-17H2
InChIKeyZBCZRHZHLSJBQR-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.54
Rot. Bonds5

About 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 149469691) has the molecular formula C24H25F3N2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID149469691
Molecular FormulaC24H25F3N2
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC Name4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(C3=C(Cc4ccccc4)C=NC3)CC2)cc1
InChIInChI=1S/C24H25F3N2/c25-24(26,27)22-8-6-19(7-9-22)17-29-12-10-20(11-13-29)23-16-28-15-21(23)14-18-4-2-1-3-5-18/h1-9,15,20H,10-14,16-17H2
InChIKeyZBCZRHZHLSJBQR-UHFFFAOYSA-N
XLogP5.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
[4-(4-Methyl-benzyl)-piperazin-1-yl]-(4-trifluoromethyl-benzylidene)-amine
CID 5347684
4-(4-methylbenzyl)-N-[(1Z,2E)-2-methyl-3-phenylprop-2-enylidene]piperazin-1-amine
CID 5392053
N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 155561050
1-benzyl-2,2-dimethyl-4-pyrrolidin-1-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-3H-pyridin-1-ium bromide
CID 162668242
N-(1-benzylpyrrolidin-3-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 162670612
4-benzyl-N-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1-piperazinamine
CID 6878474
4-(4-methylbenzyl)-N-[(1E,2Z)-2-methyl-3-phenylprop-2-en-1-ylidene]piperazin-1-amine
CID 6880227
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)methanimine
CID 155541480
N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine
CID 155548223
N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine
CID 155560617
N-(1-benzylpiperidin-4-yl)-1-(4-methylphenyl)methanimine
CID 155560920

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 149469691) is 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CN2CCC(C3=C(Cc4ccccc4)C=NC3)CC2)cc1.
What is the InChIKey of 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is ZBCZRHZHLSJBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2/c25-24(26,27)22-8-6-19(7-9-22)17-29-12-10-20(11-13-29)23-16-28-15-21(23)14-18-4-2-1-3-5-18/h1-9,15,20H,10-14,16-17H2.
What are the key properties of 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 398.47 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-2H-pyrrol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 149469691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).