4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid

C15H20N2O5 — CID 119139219

IUPAC4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N2O5/c18-15(19)2-1-9-16-10-7-14(8-11-16)22-13-5-3-12(4-6-13)17(20)21/h3-6,14H,1-2,7-11H2,(H,18,19)
InChIKeyXNCZLFKBMTWJFX-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.30
Rot. Bonds7

About 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid

4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid (PubChem CID 119139219) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid
PubChem CID119139219
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N2O5/c18-15(19)2-1-9-16-10-7-14(8-11-16)22-13-5-3-12(4-6-13)17(20)21/h3-6,14H,1-2,7-11H2,(H,18,19)
InChIKeyXNCZLFKBMTWJFX-UHFFFAOYSA-N
XLogP2.30
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-(4-phenoxypiperidin-1-yl)butanoic acid
CID 119134907
1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
(2S)-2-amino-1-[4-(4-nitrophenoxy)piperidin-1-yl]propan-1-one
CID 119334478
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282
2-amino-3-methyl-1-[4-(4-nitrophenoxy)piperidin-1-yl]pentan-1-one
CID 119802701
4-(4-nitrophenoxy)oxane
CID 118705229
5-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]-5-oxopentanoic acid
CID 4739751
1-ethyl-4-[3-(4-nitrophenoxy)propyl]piperazine;oxalic acid
CID 2961425
1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 2232563
1-[3-(4-nitrophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
CID 93213304
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid (CID 119139219) is 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid is O=C(O)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid?
The InChIKey is XNCZLFKBMTWJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-15(19)2-1-9-16-10-7-14(8-11-16)22-13-5-3-12(4-6-13)17(20)21/h3-6,14H,1-2,7-11H2,(H,18,19).
What are the key properties of 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid?
4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid has a molecular weight of 308.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 119139219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).