N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine

C24H23BrClN3 — CID 12875566

IUPACN-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine
SMILESClc1ccccc1C(c1ccc(Br)cc1)N1CCC(/N=C/c2ccccn2)CC1
InChIInChI=1S/C24H23BrClN3/c25-19-10-8-18(9-11-19)24(22-6-1-2-7-23(22)26)29-15-12-20(13-16-29)28-17-21-5-3-4-14-27-21/h1-11,14,17,20,24H,12-13,15-16H2/b28-17+
InChIKeyRABQJGOBJJGQOP-OGLMXYFKSA-N
MW468.83 g/mol
LogP6.17
Rot. Bonds5

About N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine

N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine (PubChem CID 12875566) has the molecular formula C24H23BrClN3 and a molecular weight of 468.83 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine
PubChem CID12875566
Molecular FormulaC24H23BrClN3
Molecular Weight468.83 g/mol
Exact Mass467.08
IUPAC NameN-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine
SMILESClc1ccccc1C(c1ccc(Br)cc1)N1CCC(/N=C/c2ccccn2)CC1
InChIInChI=1S/C24H23BrClN3/c25-19-10-8-18(9-11-19)24(22-6-1-2-7-23(22)26)29-15-12-20(13-16-29)28-17-21-5-3-4-14-27-21/h1-11,14,17,20,24H,12-13,15-16H2/b28-17+
InChIKeyRABQJGOBJJGQOP-OGLMXYFKSA-N
XLogP6.17
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.83
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine (CID 12875566) is N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine is Clc1ccccc1C(c1ccc(Br)cc1)N1CCC(/N=C/c2ccccn2)CC1.
What is the InChIKey of N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine?
The InChIKey is RABQJGOBJJGQOP-OGLMXYFKSA-N. The full InChI is InChI=1S/C24H23BrClN3/c25-19-10-8-18(9-11-19)24(22-6-1-2-7-23(22)26)29-15-12-20(13-16-29)28-17-21-5-3-4-14-27-21/h1-11,14,17,20,24H,12-13,15-16H2/b28-17+.
What are the key properties of N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine?
N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine has a molecular weight of 468.83 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)-(2-chlorophenyl)methyl]piperidin-4-yl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 12875566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).