[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol

C19H19F3N2O3 — CID 133438802

IUPAC[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)16-4-2-14(3-5-16)15-7-9-23(10-8-15)18-11-13(12-25)1-6-17(18)24(26)27/h1-6,11,15,25H,7-10,12H2
InChIKeyPYXRLVUXHHQJSW-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.49
Rot. Bonds4

About [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol

[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol (PubChem CID 133438802) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol
PubChem CID133438802
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)16-4-2-14(3-5-16)15-7-9-23(10-8-15)18-11-13(12-25)1-6-17(18)24(26)27/h1-6,11,15,25H,7-10,12H2
InChIKeyPYXRLVUXHHQJSW-UHFFFAOYSA-N
XLogP4.49
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
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

2,2,2-trifluoro-1-[1-[5-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]ethanol
CID 133438430
[4-nitro-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]phenyl]methanol
CID 133437985
[3-(4-ethenylpiperidin-1-yl)-4-nitrophenyl]methanol
CID 133437724
[3-[4-(N-methylanilino)piperidin-1-yl]-4-nitrophenyl]methanol
CID 133437687
[3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-nitrophenyl]methanol
CID 133437842
1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 135052358
[3-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133438012
[3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133437902
(4-chlorophenyl)-[1-[5-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]methanol
CID 133437706
[3-[4-(2-chlorophenoxy)piperidin-1-yl]-4-nitrophenyl]methanol
CID 133438594
[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]methanol
CID 56806213
[4-[5-(hydroxymethyl)-2-nitrophenyl]piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 75517498

Frequently Asked Questions

What is the IUPAC name of [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol?
The IUPAC name of [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol (CID 133438802) is [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol.
What is the SMILES notation for [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol?
The canonical SMILES for [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol is O=[N+]([O-])c1ccc(CO)cc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol?
The InChIKey is PYXRLVUXHHQJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)16-4-2-14(3-5-16)15-7-9-23(10-8-15)18-11-13(12-25)1-6-17(18)24(26)27/h1-6,11,15,25H,7-10,12H2.
What are the key properties of [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol?
[4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol has a molecular weight of 380.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-nitro-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methanol is sourced from PubChem (CID 133438802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).