4-(4-nitrophenoxy)piperidine;hydrochloride

C11H15ClN2O3 — CID 22591401

IUPAC4-(4-nitrophenoxy)piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H14N2O3.ClH/c14-13(15)9-1-3-10(4-2-9)16-11-5-7-12-8-6-11;/h1-4,11-12H,5-8H2;1H
InChIKeyVIAOUXPCADEEEG-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.15
Rot. Bonds3

About 4-(4-nitrophenoxy)piperidine;hydrochloride

4-(4-nitrophenoxy)piperidine;hydrochloride (PubChem CID 22591401) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-nitrophenoxy)piperidine;hydrochloride
PubChem CID22591401
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name4-(4-nitrophenoxy)piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H14N2O3.ClH/c14-13(15)9-1-3-10(4-2-9)16-11-5-7-12-8-6-11;/h1-4,11-12H,5-8H2;1H
InChIKeyVIAOUXPCADEEEG-UHFFFAOYSA-N
XLogP2.15
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.15
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

1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
1-cyclopentyloxy-4-nitrobenzene
CID 19616619
4-(4-nitrophenoxy)oxane
CID 118705229
tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate;4-(4-nitrophenoxy)piperidine
CID 161229306
ethane;4-(3-nitrophenoxy)piperidine
CID 156721949
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine
CID 176696770
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
5-nitro-2-piperidin-4-yloxybenzamide
CID 62342062
4-(4-iodophenoxy)piperidine
CID 53409910
piperidin-4-yl N-(4-nitrophenyl)carbamate
CID 79337999
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(4-nitrophenoxy)piperidine;hydrochloride (CID 22591401) is 4-(4-nitrophenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-nitrophenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(4-nitrophenoxy)piperidine;hydrochloride is Cl.O=[N+]([O-])c1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 4-(4-nitrophenoxy)piperidine;hydrochloride?
The InChIKey is VIAOUXPCADEEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/c14-13(15)9-1-3-10(4-2-9)16-11-5-7-12-8-6-11;/h1-4,11-12H,5-8H2;1H.
What are the key properties of 4-(4-nitrophenoxy)piperidine;hydrochloride?
4-(4-nitrophenoxy)piperidine;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)piperidine;hydrochloride is sourced from PubChem (CID 22591401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).