1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine

C15H16Cl2N4O2 — CID 133491389

IUPAC1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine
SMILESCC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1n1ccnc1
InChIInChI=1S/C15H16Cl2N4O2/c1-10-2-4-19(8-14(10)20-5-3-18-9-20)15-12(16)6-11(21(22)23)7-13(15)17/h3,5-7,9-10,14H,2,4,8H2,1H3
InChIKeyKXJMYESMEAKQQO-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.19
Rot. Bonds3

About 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine

1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine (PubChem CID 133491389) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine
PubChem CID133491389
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC Name1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine
SMILESCC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1n1ccnc1
InChIInChI=1S/C15H16Cl2N4O2/c1-10-2-4-19(8-14(10)20-5-3-18-9-20)15-12(16)6-11(21(22)23)7-13(15)17/h3,5-7,9-10,14H,2,4,8H2,1H3
InChIKeyKXJMYESMEAKQQO-UHFFFAOYSA-N
XLogP4.19
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
CID 103952620
[1-(2,6-dichloro-4-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 106891894
(2-hydroxy-4-nitrophenyl)-(3-imidazol-1-yl-4-methylpiperidin-1-yl)methanone
CID 86798329
3-imidazol-1-yl-4-methyl-1-(3-methylsulfonyl-2-nitrophenyl)piperidine
CID 133414420
N-[[1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 133484696
[1-(2,6-dichloro-4-nitrophenyl)piperidin-4-yl]methanol
CID 103952600
1-(2,6-dichloro-4-nitrophenyl)piperidine-3-carboxylic acid
CID 106891078
1-(2,6-dichloro-4-nitrophenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 133454657
3-chloro-2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid
CID 107189705
[1-(2,6-dichloro-4-nitrophenyl)-3-methylpiperidin-2-yl]methanamine
CID 106891806
3-chloro-5-nitro-2-(3-propylpyrrolidin-1-yl)benzoic acid
CID 107191183
propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
CID 98892031

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine?
The IUPAC name of 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine (CID 133491389) is 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine.
What is the SMILES notation for 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine?
The canonical SMILES for 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine is CC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1n1ccnc1.
What is the InChIKey of 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine?
The InChIKey is KXJMYESMEAKQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-10-2-4-19(8-14(10)20-5-3-18-9-20)15-12(16)6-11(21(22)23)7-13(15)17/h3,5-7,9-10,14H,2,4,8H2,1H3.
What are the key properties of 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine?
1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine has a molecular weight of 355.23 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-nitrophenyl)-3-imidazol-1-yl-4-methylpiperidine is sourced from PubChem (CID 133491389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).