3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol

C13H19N3O3 — CID 60500907

IUPAC3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol
SMILESO=[N+]([O-])c1cccc(N2CCN(CCCO)CC2)c1
InChIInChI=1S/C13H19N3O3/c17-10-2-5-14-6-8-15(9-7-14)12-3-1-4-13(11-12)16(18)19/h1,3-4,11,17H,2,5-10H2
InChIKeyOFRSLPRZAGMXHH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.10
Rot. Bonds5

About 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol

3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol (PubChem CID 60500907) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol
PubChem CID60500907
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol
SMILESO=[N+]([O-])c1cccc(N2CCN(CCCO)CC2)c1
InChIInChI=1S/C13H19N3O3/c17-10-2-5-14-6-8-15(9-7-14)12-3-1-4-13(11-12)16(18)19/h1,3-4,11,17H,2,5-10H2
InChIKeyOFRSLPRZAGMXHH-UHFFFAOYSA-N
XLogP1.10
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-(2-chloro-4-nitrophenyl)piperazin-1-yl]propan-1-ol
CID 47091000
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
2-[4-(3-nitrophenyl)piperazin-1-yl]acetonitrile
CID 22330152
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
N-[2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 172594290
N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]cyclohexanesulfonamide
CID 11539110
3-[4-(2,6-difluoro-4-nitrophenyl)piperazin-1-yl]propan-1-ol
CID 133328156
4-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]benzenesulfonamide;hydrochloride
CID 67014612
N-(2-methyl-5-nitrophenyl)-3-[4-(3-nitrophenyl)piperazin-1-yl]propanamide
CID 55843135
1-(3-nitrophenyl)piperazine
CID 2760216
2-bromo-2-methyl-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one
CID 114327555

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol (CID 60500907) is 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol is O=[N+]([O-])c1cccc(N2CCN(CCCO)CC2)c1.
What is the InChIKey of 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is OFRSLPRZAGMXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-10-2-5-14-6-8-15(9-7-14)12-3-1-4-13(11-12)16(18)19/h1,3-4,11,17H,2,5-10H2.
What are the key properties of 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol?
3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 265.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 60500907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).