4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine

C10H16N4O3 — CID 103555198

IUPAC4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine
SMILESCc1nc([N+](=O)[O-])c(OC2CCNCC2)n1C
InChIInChI=1S/C10H16N4O3/c1-7-12-9(14(15)16)10(13(7)2)17-8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyJZVPIOLQIDZEGH-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.77
Rot. Bonds3

About 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine

4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine (PubChem CID 103555198) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine.

Molecular Properties

Compound Name4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine
PubChem CID103555198
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine
SMILESCc1nc([N+](=O)[O-])c(OC2CCNCC2)n1C
InChIInChI=1S/C10H16N4O3/c1-7-12-9(14(15)16)10(13(7)2)17-8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyJZVPIOLQIDZEGH-UHFFFAOYSA-N
XLogP0.77
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 103555231
N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
CID 103555031
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 103555044
2,3-dimethyl-N-(4-methylcycloheptyl)-5-nitroimidazol-4-amine
CID 102809610
1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)cyclohexane-1,4-diamine
CID 103554754
N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 103554932
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258269
[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 103555147
4-(5-methyl-2-nitrophenoxy)piperidine
CID 20735388
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine?
The IUPAC name of 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine (CID 103555198) is 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine.
What is the SMILES notation for 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine?
The canonical SMILES for 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine is Cc1nc([N+](=O)[O-])c(OC2CCNCC2)n1C.
What is the InChIKey of 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine?
The InChIKey is JZVPIOLQIDZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-12-9(14(15)16)10(13(7)2)17-8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3.
What are the key properties of 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine?
4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine has a molecular weight of 240.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine is sourced from PubChem (CID 103555198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).