(3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine

C17H17ClN2O3 — CID 142522087

IUPAC(3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCCN(c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O3/c18-16-11-14(20(21)22)8-9-17(16)23-15-7-4-10-19(12-15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m1/s1
InChIKeyUDFXMOPZLHGVSW-OAHLLOKOSA-N
MW332.79 g/mol
LogP4.30
Rot. Bonds4

About (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine

(3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine (PubChem CID 142522087) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine.

Molecular Properties

Compound Name(3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine
PubChem CID142522087
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCCN(c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O3/c18-16-11-14(20(21)22)8-9-17(16)23-15-7-4-10-19(12-15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m1/s1
InChIKeyUDFXMOPZLHGVSW-OAHLLOKOSA-N
XLogP4.30
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.30
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

4-(2-chloro-4-nitrophenoxy)oxane
CID 177179257
1-(2-chloro-4-nitrophenyl)-3-methoxypiperidine
CID 174760958
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
3-(2-chloro-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66357280
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 122256214
2-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-5-nitrobenzonitrile
CID 133398844
3-[3-(2-fluoro-4-nitrophenoxy)piperidin-1-yl]propanoic acid
CID 84755657
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
CID 175290845
3-nitro-1-phenylpyrrolidine
CID 154333997

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine?
The IUPAC name of (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine (CID 142522087) is (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine.
What is the SMILES notation for (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine?
The canonical SMILES for (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine is O=[N+]([O-])c1ccc(O[C@@H]2CCCN(c3ccccc3)C2)c(Cl)c1.
What is the InChIKey of (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine?
The InChIKey is UDFXMOPZLHGVSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-16-11-14(20(21)22)8-9-17(16)23-15-7-4-10-19(12-15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m1/s1.
What are the key properties of (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine?
(3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine has a molecular weight of 332.79 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloro-4-nitrophenoxy)-1-phenylpiperidine is sourced from PubChem (CID 142522087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).