(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate

C19H20N2O5 — CID 167316087

IUPAC(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C19H20N2O5/c22-18(14-25-17-8-6-16(7-9-17)21(23)24)26-19(10-12-20-13-11-19)15-4-2-1-3-5-15/h1-9,20H,10-14H2
InChIKeyCPJURZFJDBZQDE-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.80
Rot. Bonds6

About (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate

(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate (PubChem CID 167316087) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate
PubChem CID167316087
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C19H20N2O5/c22-18(14-25-17-8-6-16(7-9-17)21(23)24)26-19(10-12-20-13-11-19)15-4-2-1-3-5-15/h1-9,20H,10-14H2
InChIKeyCPJURZFJDBZQDE-UHFFFAOYSA-N
XLogP2.80
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate
CID 167315987
(4-phenylpiperidin-4-yl) 2-methyl-5-nitrobenzoate
CID 167315632
(4-phenylpiperidin-4-yl) 2-(4-methylsulfonylphenyl)acetate
CID 167316272
(4-benzoylphenyl) 2-(4-nitrophenoxy)acetate
CID 1069094
(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate
CID 167314891
(4-phenylpiperidin-4-yl) 7-bromoheptanoate
CID 167314725
(4-phenylpiperidin-4-yl) 3-hydroxy-4-nitrobenzoate
CID 167314736
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
(2-nitrophenyl) 2-(4-nitrophenoxy)acetate
CID 3340763
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone
CID 14649986
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate (CID 167316087) is (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate is O=C(COc1ccc([N+](=O)[O-])cc1)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate?
The InChIKey is CPJURZFJDBZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-18(14-25-17-8-6-16(7-9-17)21(23)24)26-19(10-12-20-13-11-19)15-4-2-1-3-5-15/h1-9,20H,10-14H2.
What are the key properties of (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate?
(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate has a molecular weight of 356.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate is sourced from PubChem (CID 167316087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).