N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

C20H25BrN2 — CID 166626465

IUPACN-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESBrc1ccccc1CN(CCc1ccccc1)C1CCNCC1
InChIInChI=1S/C20H25BrN2/c21-20-9-5-4-8-18(20)16-23(19-10-13-22-14-11-19)15-12-17-6-2-1-3-7-17/h1-9,19,22H,10-16H2
InChIKeyKOMCNMPKKMKCRC-UHFFFAOYSA-N
MW373.34 g/mol
LogP4.25
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 166626465) has the molecular formula C20H25BrN2 and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID166626465
Molecular FormulaC20H25BrN2
Molecular Weight373.34 g/mol
Exact Mass372.12
IUPAC NameN-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESBrc1ccccc1CN(CCc1ccccc1)C1CCNCC1
InChIInChI=1S/C20H25BrN2/c21-20-9-5-4-8-18(20)16-23(19-10-13-22-14-11-19)15-12-17-6-2-1-3-7-17/h1-9,19,22H,10-16H2
InChIKeyKOMCNMPKKMKCRC-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine 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-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 166626465) is N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Brc1ccccc1CN(CCc1ccccc1)C1CCNCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is KOMCNMPKKMKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2/c21-20-9-5-4-8-18(20)16-23(19-10-13-22-14-11-19)15-12-17-6-2-1-3-7-17/h1-9,19,22H,10-16H2.
What are the key properties of N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 373.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 166626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).