1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine

C14H19BrN2O2 — CID 91681102

IUPAC1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine
SMILESCCc1cc([N+](=O)[O-])cc(Br)c1N1CCCCC1C
InChIInChI=1S/C14H19BrN2O2/c1-3-11-8-12(17(18)19)9-13(15)14(11)16-7-5-4-6-10(16)2/h8-10H,3-7H2,1-2H3
InChIKeyUNVFCVJPZJQKMV-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.30
Rot. Bonds3

About 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine

1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine (PubChem CID 91681102) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine
PubChem CID91681102
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine
SMILESCCc1cc([N+](=O)[O-])cc(Br)c1N1CCCCC1C
InChIInChI=1S/C14H19BrN2O2/c1-3-11-8-12(17(18)19)9-13(15)14(11)16-7-5-4-6-10(16)2/h8-10H,3-7H2,1-2H3
InChIKeyUNVFCVJPZJQKMV-UHFFFAOYSA-N
XLogP4.30
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-bromo-6-methyl-4-nitrophenyl)-2-methylpiperidine
CID 50880046
1-(2-chloro-4,6-dinitrophenyl)-2-methylpiperidine
CID 50880002
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperidine
CID 95910894
1-(2-methoxy-4,6-dinitrophenyl)-2-methylpiperidine
CID 50880058
(2R,6S)-1-(2-bromo-6-chloro-4-nitrophenyl)-2,6-dimethylpiperidine
CID 100804935
N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
1-(4-chloro-2,6-dinitrophenyl)-2-methylpiperidine
CID 50880027
(2S)-1-(4-chloro-2,6-dinitrophenyl)-2-methylpiperidine
CID 94068344
3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline
CID 91681196
2-bromo-N-cyclohexyl-6-ethyl-4-nitroaniline
CID 91681157
2-bromo-N-cyclohexyl-6-ethyl-N-methyl-4-nitroaniline
CID 91681158
N-[(2-bromo-4-nitrophenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021877

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine?
The IUPAC name of 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine (CID 91681102) is 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine.
What is the SMILES notation for 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine?
The canonical SMILES for 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine is CCc1cc([N+](=O)[O-])cc(Br)c1N1CCCCC1C.
What is the InChIKey of 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine?
The InChIKey is UNVFCVJPZJQKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-11-8-12(17(18)19)9-13(15)14(11)16-7-5-4-6-10(16)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine?
1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine has a molecular weight of 327.22 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine is sourced from PubChem (CID 91681102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).