N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine

C11H19N5O2 — CID 119920200

IUPACN-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1
InChIInChI=1S/C11H19N5O2/c1-12-9-4-3-5-15(6-9)7-10-11(16(17)18)13-8-14(10)2/h8-9,12H,3-7H2,1-2H3
InChIKeyKJZMPWXKTOEVSH-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.51
Rot. Bonds4

About N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine

N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine (PubChem CID 119920200) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine
PubChem CID119920200
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1
InChIInChI=1S/C11H19N5O2/c1-12-9-4-3-5-15(6-9)7-10-11(16(17)18)13-8-14(10)2/h8-9,12H,3-7H2,1-2H3
InChIKeyKJZMPWXKTOEVSH-UHFFFAOYSA-N
XLogP0.51
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.51
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

1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 103186282
1-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine
CID 62546893
(3S,4R)-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120760521
N-methyl-1-[(3-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119918159
1-ethyl-N-(1-methyl-4-nitropyrazol-3-yl)piperidin-3-amine
CID 103079772
1-[(2-methoxy-5-nitrophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119919666
N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
CID 119918903
N-[2-(azepan-1-yl)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 32878153
N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine
CID 18095690
2-[1-(3-methyl-5-nitroimidazol-4-yl)pyrrolidin-2-yl]acetic acid
CID 61371306
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine (CID 119920200) is N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine is CNC1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1.
What is the InChIKey of N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is KJZMPWXKTOEVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-12-9-4-3-5-15(6-9)7-10-11(16(17)18)13-8-14(10)2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine?
N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 253.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 119920200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).