N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide

C14H19BrN2O — CID 151741586

IUPACN-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide
SMILESO=CN(CCc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c15-13-3-1-12(2-4-13)7-10-17(11-18)14-5-8-16-9-6-14/h1-4,11,14,16H,5-10H2
InChIKeyRMQQBHQJJQDOGL-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide

N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide (PubChem CID 151741586) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide
PubChem CID151741586
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide
SMILESO=CN(CCc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c15-13-3-1-12(2-4-13)7-10-17(11-18)14-5-8-16-9-6-14/h1-4,11,14,16H,5-10H2
InChIKeyRMQQBHQJJQDOGL-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide (CID 151741586) is N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide is O=CN(CCc1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide?
The InChIKey is RMQQBHQJJQDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-13-3-1-12(2-4-13)7-10-17(11-18)14-5-8-16-9-6-14/h1-4,11,14,16H,5-10H2.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide?
N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide has a molecular weight of 311.22 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-N-piperidin-4-ylformamide is sourced from PubChem (CID 151741586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).