1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine

C12H17FN4O2 — CID 121001014

IUPAC1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(CCCF)CC2)cn1
InChIInChI=1S/C12H17FN4O2/c13-4-1-5-15-6-8-16(9-7-15)11-2-3-12(14-10-11)17(18)19/h2-3,10H,1,4-9H2
InChIKeyVDCZXDZNMUFPEV-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.47
Rot. Bonds5

About 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine

1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine (PubChem CID 121001014) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine
PubChem CID121001014
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(CCCF)CC2)cn1
InChIInChI=1S/C12H17FN4O2/c13-4-1-5-15-6-8-16(9-7-15)11-2-3-12(14-10-11)17(18)19/h2-3,10H,1,4-9H2
InChIKeyVDCZXDZNMUFPEV-UHFFFAOYSA-N
XLogP1.47
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]propanethioamide
CID 82151150
1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-4-(6-nitro-3-pyridinyl)piperazine
CID 34554737
methyl 2-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]acetate
CID 47027590
ethane;2-nitro-5-piperidin-1-ylpyridine
CID 142329897
6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
CID 122520396
4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 154640970
3,3,5,5-tetradeuterio-1-(6-nitro-3-pyridinyl)piperazine
CID 162640866
1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol
CID 142494258
(2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile
CID 34528483
2-[1-(6-nitro-3-pyridinyl)piperidin-4-yl]acetic acid
CID 79608617
2,2,2-trichloro-1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone
CID 28526793
5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
CID 118348190

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine?
The IUPAC name of 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine (CID 121001014) is 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine?
The canonical SMILES for 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(CCCF)CC2)cn1.
What is the InChIKey of 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine?
The InChIKey is VDCZXDZNMUFPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-4-1-5-15-6-8-16(9-7-15)11-2-3-12(14-10-11)17(18)19/h2-3,10H,1,4-9H2.
What are the key properties of 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine?
1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine has a molecular weight of 268.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine is sourced from PubChem (CID 121001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).