1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine

C14H19N3O2 — CID 171285254

IUPAC1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine
SMILESO=[N+]([O-])c1ccccc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H19N3O2/c18-17(19)13-4-2-1-3-12(13)14(11-5-6-11)16-9-7-15-8-10-16/h1-4,11,14-15H,5-10H2/t14-/m1/s1
InChIKeyNAJOGUJLHCCFBD-CQSZACIVSA-N
MW261.32 g/mol
LogP1.95
Rot. Bonds4

About 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine

1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine (PubChem CID 171285254) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine
PubChem CID171285254
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine
SMILESO=[N+]([O-])c1ccccc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H19N3O2/c18-17(19)13-4-2-1-3-12(13)14(11-5-6-11)16-9-7-15-8-10-16/h1-4,11,14-15H,5-10H2/t14-/m1/s1
InChIKeyNAJOGUJLHCCFBD-CQSZACIVSA-N
XLogP1.95
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.95
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-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171285255
1-[(S)-cyclobutyl-(2-nitrophenyl)methyl]piperazine
CID 171272628
1-[(S)-cyclopentyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171272631
1-[(S)-(2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171272637
1-[(S)-(5-chloro-2-nitrophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171278399
1-[(1S)-2-cyclopropyl-1-(2-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171272643
1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine
CID 93464471
1-[(S)-cyclohexyl-(4-fluoro-2-nitrophenyl)methyl]piperazine
CID 171278193
1-[(S)-cyclopropyl-(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine;dihydrochloride
CID 171279567
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171274651
1-[(R)-(5-chloro-2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171291034
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284855

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine (CID 171285254) is 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine is O=[N+]([O-])c1ccccc1[C@@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine?
The InChIKey is NAJOGUJLHCCFBD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-17(19)13-4-2-1-3-12(13)14(11-5-6-11)16-9-7-15-8-10-16/h1-4,11,14-15H,5-10H2/t14-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine?
1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine has a molecular weight of 261.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine is sourced from PubChem (CID 171285254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).