4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol

C19H22N2O3 — CID 47089481

IUPAC4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol
SMILESO=[N+]([O-])c1ccccc1N1CCC(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C19H22N2O3/c22-17-9-7-15(8-10-17)5-6-16-11-13-20(14-12-16)18-3-1-2-4-19(18)21(23)24/h1-4,7-10,16,22H,5-6,11-14H2
InChIKeyVDGGQDNOTKMKCA-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.15
Rot. Bonds5

About 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol

4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol (PubChem CID 47089481) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol
PubChem CID47089481
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol
SMILESO=[N+]([O-])c1ccccc1N1CCC(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C19H22N2O3/c22-17-9-7-15(8-10-17)5-6-16-11-13-20(14-12-16)18-3-1-2-4-19(18)21(23)24/h1-4,7-10,16,22H,5-6,11-14H2
InChIKeyVDGGQDNOTKMKCA-UHFFFAOYSA-N
XLogP4.15
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.15
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

4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 78806226
(4-chlorophenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 46794243
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 9108511
4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid
CID 23826216
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(2-nitrophenyl)methanone
CID 24575263
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
3-chloro-4-[4-[2-(4-nitrophenyl)ethyl]piperidin-1-yl]pyridazine
CID 174509498

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol?
The IUPAC name of 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol (CID 47089481) is 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol is O=[N+]([O-])c1ccccc1N1CCC(CCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol?
The InChIKey is VDGGQDNOTKMKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17-9-7-15(8-10-17)5-6-16-11-13-20(14-12-16)18-3-1-2-4-19(18)21(23)24/h1-4,7-10,16,22H,5-6,11-14H2.
What are the key properties of 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol?
4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol has a molecular weight of 326.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol is sourced from PubChem (CID 47089481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).