4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine

C19H19F3N2O3 — CID 2728019

IUPAC4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
SMILESCOc1ccccc1C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H19F3N2O3/c1-27-18-5-3-2-4-15(18)13-8-10-23(11-9-13)16-7-6-14(19(20,21)22)12-17(16)24(25)26/h2-7,12-13H,8-11H2,1H3
InChIKeyZFGVLIZRJBQGLN-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.01
Rot. Bonds4

About 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine

4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine (PubChem CID 2728019) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
PubChem CID2728019
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
SMILESCOc1ccccc1C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H19F3N2O3/c1-27-18-5-3-2-4-15(18)13-8-10-23(11-9-13)16-7-6-14(19(20,21)22)12-17(16)24(25)26/h2-7,12-13H,8-11H2,1H3
InChIKeyZFGVLIZRJBQGLN-UHFFFAOYSA-N
XLogP5.01
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-Methoxyphenyl)piperidino]-4-nitrophenol
CID 2728046
{4-[4-(2-Methoxyphenyl)piperidino]-3-nitrophenyl}methanol
CID 2728052
N-[2-(2-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 2900701
7-Methyl-1,4-dioxido-3-[4-(trifluoromethoxy)phenyl]quinoxaline-1,4-diium-2-carbonitrile
CID 25111573
4-(2-Methoxyphenyl)-1-(3-nitrobenzyl)piperidine
CID 2802692
1-(m-Methoxyphenyl)-4-(p-nitrobenzyl)piperazine
CID 782285
3-(4-Methoxyphenyl)-1,4-dioxido-7-(trifluoromethyl)quinoxaline-1,4-diium-2-carbonitrile
CID 25111251
Benzenemethanamine, 4-(dimethylamino)-N-(4-methoxyphenyl)-3-nitro-
CID 3065108
1-(4-Methoxy-3-methylbenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1067851
4-(2-Methoxyphenyl)-1-[4-nitro-3-(trifluoromethyl)phenyl]piperidine
CID 2728034
6,7-Dimethyl-1,4-dioxido-3-[4-(trifluoromethoxy)phenyl]quinoxaline-1,4-diium-2-carbonitrile
CID 25111574
1'-methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 42892918

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine (CID 2728019) is 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine is COc1ccccc1C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is ZFGVLIZRJBQGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-27-18-5-3-2-4-15(18)13-8-10-23(11-9-13)16-7-6-14(19(20,21)22)12-17(16)24(25)26/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine?
4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 380.37 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 2728019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).