N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine

C22H26BrClN2 — CID 166627320

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2CC(c3ccccc3)C2)ccc1Br
InChIInChI=1S/C22H26BrClN2/c23-21-7-6-16(12-22(21)24)15-26(19-8-10-25-11-9-19)20-13-18(14-20)17-4-2-1-3-5-17/h1-7,12,18-20,25H,8-11,13-15H2
InChIKeyRUMWKINYPMMXGZ-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.60
Rot. Bonds5

About N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine

N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine (PubChem CID 166627320) has the molecular formula C22H26BrClN2 and a molecular weight of 433.82 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine
PubChem CID166627320
Molecular FormulaC22H26BrClN2
Molecular Weight433.82 g/mol
Exact Mass432.10
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2CC(c3ccccc3)C2)ccc1Br
InChIInChI=1S/C22H26BrClN2/c23-21-7-6-16(12-22(21)24)15-26(19-8-10-25-11-9-19)20-13-18(14-20)17-4-2-1-3-5-17/h1-7,12,18-20,25H,8-11,13-15H2
InChIKeyRUMWKINYPMMXGZ-UHFFFAOYSA-N
XLogP5.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine (CID 166627320) is N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine is Clc1cc(CN(C2CCNCC2)C2CC(c3ccccc3)C2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine?
The InChIKey is RUMWKINYPMMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrClN2/c23-21-7-6-16(12-22(21)24)15-26(19-8-10-25-11-9-19)20-13-18(14-20)17-4-2-1-3-5-17/h1-7,12,18-20,25H,8-11,13-15H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine has a molecular weight of 433.82 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine is sourced from PubChem (CID 166627320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).