2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol

C18H24F3N3O3 — CID 133376347

IUPAC2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(NC2CCN(C3CCCCC3O)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)14-11-13(24(26)27)5-6-15(14)22-12-7-9-23(10-8-12)16-3-1-2-4-17(16)25/h5-6,11-12,16-17,22,25H,1-4,7-10H2
InChIKeyPUWDHVUQYXGEPG-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.79
Rot. Bonds4

About 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133376347) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID133376347
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(NC2CCN(C3CCCCC3O)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)14-11-13(24(26)27)5-6-15(14)22-12-7-9-23(10-8-12)16-3-1-2-4-17(16)25/h5-6,11-12,16-17,22,25H,1-4,7-10H2
InChIKeyPUWDHVUQYXGEPG-UHFFFAOYSA-N
XLogP3.79
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-nitro-2-(trifluoromethyl)aniline
CID 54935524
N-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63318856
N-(3-methoxycyclobutyl)-4-nitro-2-(trifluoromethyl)aniline
CID 104576762
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376408
N-(2-methylcyclopentyl)-4-nitro-2-(trifluoromethyl)aniline
CID 63540588
1-tert-butyl-4-[4-nitro-2-(trifluoromethyl)anilino]pyrrolidin-2-one
CID 133342281
2-[4-[4-nitro-2-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118398
N-(dicyclopropylmethyl)-4-nitro-2-(trifluoromethyl)aniline
CID 61482384
2-[4-(3-methylsulfonyl-2-nitroanilino)piperidin-1-yl]cyclohexan-1-ol
CID 133414492
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol (CID 133376347) is 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol is O=[N+]([O-])c1ccc(NC2CCN(C3CCCCC3O)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is PUWDHVUQYXGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c19-18(20,21)14-11-13(24(26)27)5-6-15(14)22-12-7-9-23(10-8-12)16-3-1-2-4-17(16)25/h5-6,11-12,16-17,22,25H,1-4,7-10H2.
What are the key properties of 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 387.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133376347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).