4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine

C12H15ClN2O3 — CID 130270636

IUPAC4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine
SMILESCN1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H15ClN2O3/c1-14-6-4-10(5-7-14)18-12-3-2-9(13)8-11(12)15(16)17/h2-3,8,10H,4-7H2,1H3
InChIKeyLRWSOQUJCGPNIL-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.72
Rot. Bonds3

About 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine

4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine (PubChem CID 130270636) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine
PubChem CID130270636
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine
SMILESCN1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H15ClN2O3/c1-14-6-4-10(5-7-14)18-12-3-2-9(13)8-11(12)15(16)17/h2-3,8,10H,4-7H2,1H3
InChIKeyLRWSOQUJCGPNIL-UHFFFAOYSA-N
XLogP2.72
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.72
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-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
CID 106825751
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1-methyl-4-[4-nitro-2-(trifluoromethyl)phenoxy]piperidine
CID 22181168
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415
(4-chloro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanethione
CID 13101069
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791
methyl 4-(4-chloro-2-nitrophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 53410464
N-(4-chloro-2-nitrophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470702
[(2,4-dinitrophenoxy)amino]-(1-methylpiperidin-4-yl)-oxoazanium
CID 90334372
3-(4-chloro-2-nitrophenoxy)-2,2-diethylcyclobutan-1-one
CID 66367222
(1-methylpiperidin-4-yl) 4-chloro-3-nitrobenzoate
CID 60631318

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine (CID 130270636) is 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine is CN1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine?
The InChIKey is LRWSOQUJCGPNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-14-6-4-10(5-7-14)18-12-3-2-9(13)8-11(12)15(16)17/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine?
4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine has a molecular weight of 270.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine is sourced from PubChem (CID 130270636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).