N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine

C13H18BrN3O2 — CID 65343726

IUPACN-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
SMILESCCN(c1cc(Br)ccc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C13H18BrN3O2/c1-2-16(11-4-3-7-15-9-11)13-8-10(14)5-6-12(13)17(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyBIECDIRVBYQBPR-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.94
Rot. Bonds4

About N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine

N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine (PubChem CID 65343726) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
PubChem CID65343726
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
SMILESCCN(c1cc(Br)ccc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C13H18BrN3O2/c1-2-16(11-4-3-7-15-9-11)13-8-10(14)5-6-12(13)17(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyBIECDIRVBYQBPR-UHFFFAOYSA-N
XLogP2.94
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
N-(4-bromo-2-nitrophenyl)-N-methylpiperidin-3-amine
CID 63643232
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
5-bromo-2-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylaniline
CID 106643222
3-[ethyl(pyrrolidin-3-yl)amino]-N-methyl-4-nitrobenzamide
CID 82993269
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
5-bromo-N-ethyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79720247
N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
CID 63637187
N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 103594171

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine?
The IUPAC name of N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine (CID 65343726) is N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine?
The canonical SMILES for N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine is CCN(c1cc(Br)ccc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine?
The InChIKey is BIECDIRVBYQBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-2-16(11-4-3-7-15-9-11)13-8-10(14)5-6-12(13)17(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine?
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine has a molecular weight of 328.21 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine is sourced from PubChem (CID 65343726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).