1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine

C16H22FN3O2 — CID 171291434

IUPAC1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
SMILESO=[N+]([O-])c1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1F
InChIInChI=1S/C16H22FN3O2/c17-14-6-5-13(11-15(14)20(21)22)16(12-3-1-2-4-12)19-9-7-18-8-10-19/h5-6,11-12,16,18H,1-4,7-10H2/t16-/m1/s1
InChIKeyRFLNKZNHVNLZES-MRXNPFEDSA-N
MW307.37 g/mol
LogP2.87
Rot. Bonds4

About 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine

1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine (PubChem CID 171291434) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
PubChem CID171291434
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
SMILESO=[N+]([O-])c1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1F
InChIInChI=1S/C16H22FN3O2/c17-14-6-5-13(11-15(14)20(21)22)16(12-3-1-2-4-12)19-9-7-18-8-10-19/h5-6,11-12,16,18H,1-4,7-10H2/t16-/m1/s1
InChIKeyRFLNKZNHVNLZES-MRXNPFEDSA-N
XLogP2.87
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.87
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)-cyclohexyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
CID 171291436
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-nitrophenol
CID 171286522
1-[(R)-cyclopentyl-(4-methyl-3-nitrophenyl)methyl]piperazine
CID 171291399
1-[(S)-cyclopentyl-(4-methyl-3-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171278775
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-nitrophenol;dihydrochloride
CID 171273897
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
5-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-nitrobenzene-1,2-diol
CID 171274218
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(1S)-2,2-difluoro-1-(4-fluoro-3-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171291426
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(S)-cyclohexyl-(4-fluoro-2-nitrophenyl)methyl]piperazine
CID 171278193
1-[(R)-cyclopropyl-(4-methoxy-3-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171288633

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine (CID 171291434) is 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine is O=[N+]([O-])c1cc([C@@H](C2CCCC2)N2CCNCC2)ccc1F.
What is the InChIKey of 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine?
The InChIKey is RFLNKZNHVNLZES-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-6-5-13(11-15(14)20(21)22)16(12-3-1-2-4-12)19-9-7-18-8-10-19/h5-6,11-12,16,18H,1-4,7-10H2/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine?
1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine has a molecular weight of 307.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine is sourced from PubChem (CID 171291434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).