1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine

C15H20ClN3O2 — CID 171291282

IUPAC1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine
SMILESO=[N+]([O-])c1ccc(Cl)c([C@@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H20ClN3O2/c16-14-4-3-12(19(20)21)10-13(14)15(9-11-1-2-11)18-7-5-17-6-8-18/h3-4,10-11,15,17H,1-2,5-9H2/t15-/m1/s1
InChIKeyDCENPBSXPGMIIM-OAHLLOKOSA-N
MW309.80 g/mol
LogP2.99
Rot. Bonds5

About 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine

1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine (PubChem CID 171291282) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine
PubChem CID171291282
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine
SMILESO=[N+]([O-])c1ccc(Cl)c([C@@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H20ClN3O2/c16-14-4-3-12(19(20)21)10-13(14)15(9-11-1-2-11)18-7-5-17-6-8-18/h3-4,10-11,15,17H,1-2,5-9H2/t15-/m1/s1
InChIKeyDCENPBSXPGMIIM-OAHLLOKOSA-N
XLogP2.99
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.99
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

(3R)-3-(2-chloro-5-nitrophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306863
1-[(1S)-1-(2-chloro-5-nitrophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302783
1-[(1S)-1-(2-chloro-5-nitrophenyl)hexyl]piperazine
CID 171309205
1-[(R)-(2-chloro-5-nitrophenyl)-cyclohexylmethyl]piperazine
CID 171291272
1-[(S)-(2-chloro-5-nitrophenyl)-cyclohexylmethyl]piperazine
CID 171278647
1-[(1R)-1-(2-chloro-5-nitrophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171291291
2-bromo-6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-4-nitrophenol;dihydrochloride
CID 171282337
2-bromo-6-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-4-nitrophenol;dihydrochloride
CID 171294957
1-[(1S)-2-cyclopropyl-1-(2-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171272643
6-chloro-2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-nitrophenol;dihydrochloride
CID 171299265
1-[(1R)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine
CID 171294486
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine (CID 171291282) is 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine is O=[N+]([O-])c1ccc(Cl)c([C@@H](CC2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine?
The InChIKey is DCENPBSXPGMIIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-14-4-3-12(19(20)21)10-13(14)15(9-11-1-2-11)18-7-5-17-6-8-18/h3-4,10-11,15,17H,1-2,5-9H2/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine?
1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine has a molecular weight of 309.80 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171291282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).