1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine

C17H23ClN2O3 — CID 133278276

IUPAC1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C17H23ClN2O3/c18-13-6-7-16(17(12-13)20(21)22)19-10-8-15(9-11-19)23-14-4-2-1-3-5-14/h6-7,12,14-15H,1-5,8-11H2
InChIKeyMPAHYTIXBKJSMY-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.57
Rot. Bonds4

About 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine

1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine (PubChem CID 133278276) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine
PubChem CID133278276
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C17H23ClN2O3/c18-13-6-7-16(17(12-13)20(21)22)19-10-8-15(9-11-19)23-14-4-2-1-3-5-14/h6-7,12,14-15H,1-5,8-11H2
InChIKeyMPAHYTIXBKJSMY-UHFFFAOYSA-N
XLogP4.57
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.57
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

1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
1,4-bis(4-chloro-2-nitrophenyl)-1,4-diazepane
CID 3094079
1-(4-chloro-2-nitrophenyl)piperidine-4-carboxylic acid
CID 19624576
4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
CID 133278337
4-(4-chloro-2-nitrophenyl)thiomorpholine
CID 2798454
1-(4-chloro-2-nitrophenyl)-1,4-diazepan-4-ium
CID 5055951
1-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 19624574
1-(4-chloro-2-nitrophenyl)-4-methyl-1,4-diazepane
CID 162442759
3-(4-chloro-2-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314766
1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 103896080
1-[1-(4-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 58056236

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine (CID 133278276) is 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine is O=[N+]([O-])c1cc(Cl)ccc1N1CCC(OC2CCCCC2)CC1.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine?
The InChIKey is MPAHYTIXBKJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-13-6-7-16(17(12-13)20(21)22)19-10-8-15(9-11-19)23-14-4-2-1-3-5-14/h6-7,12,14-15H,1-5,8-11H2.
What are the key properties of 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine?
1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine has a molecular weight of 338.84 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine is sourced from PubChem (CID 133278276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).