1-(4-chlorophenyl)-2-nitropiperidine

C11H13ClN2O2 — CID 174649450

IUPAC1-(4-chlorophenyl)-2-nitropiperidine
SMILESO=[N+]([O-])C1CCCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14(15)16/h4-7,11H,1-3,8H2
InChIKeyMQVBDEUEFPXHCX-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-chlorophenyl)-2-nitropiperidine

1-(4-chlorophenyl)-2-nitropiperidine (PubChem CID 174649450) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-nitropiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-nitropiperidine
PubChem CID174649450
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(4-chlorophenyl)-2-nitropiperidine
SMILESO=[N+]([O-])C1CCCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14(15)16/h4-7,11H,1-3,8H2
InChIKeyMQVBDEUEFPXHCX-UHFFFAOYSA-N
XLogP2.93
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(4-bromophenyl)-2-(nitromethyl)piperidine
CID 134863283
2-(4-chlorophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932722
1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine
CID 3041243
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
2,4-dinitro-1-phenylpiperazine
CID 141248930
1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 115471846
1-tert-butyl-4-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 66800230
1-(4-chloro-2,6-dinitrophenyl)-2-methylpiperidine
CID 50880027
(2S)-1-(4-chloro-2,6-dinitrophenyl)-2-methylpiperidine
CID 94068344

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-nitropiperidine?
The IUPAC name of 1-(4-chlorophenyl)-2-nitropiperidine (CID 174649450) is 1-(4-chlorophenyl)-2-nitropiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-nitropiperidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-nitropiperidine is O=[N+]([O-])C1CCCCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-nitropiperidine?
The InChIKey is MQVBDEUEFPXHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14(15)16/h4-7,11H,1-3,8H2.
What are the key properties of 1-(4-chlorophenyl)-2-nitropiperidine?
1-(4-chlorophenyl)-2-nitropiperidine has a molecular weight of 240.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-nitropiperidine is sourced from PubChem (CID 174649450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).