2-[(2-bromo-6-chlorophenyl)methyl]piperidine

C12H15BrClN — CID 117466290

IUPAC2-[(2-bromo-6-chlorophenyl)methyl]piperidine
SMILESClc1cccc(Br)c1CC1CCCCN1
InChIInChI=1S/C12H15BrClN/c13-11-5-3-6-12(14)10(11)8-9-4-1-2-7-15-9/h3,5-6,9,15H,1-2,4,7-8H2
InChIKeySXJAUKYLIPOHQX-UHFFFAOYSA-N
MW288.62 g/mol
LogP3.79
Rot. Bonds2

About 2-[(2-bromo-6-chlorophenyl)methyl]piperidine

2-[(2-bromo-6-chlorophenyl)methyl]piperidine (PubChem CID 117466290) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 2-[(2-bromo-6-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2-bromo-6-chlorophenyl)methyl]piperidine
PubChem CID117466290
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name2-[(2-bromo-6-chlorophenyl)methyl]piperidine
SMILESClc1cccc(Br)c1CC1CCCCN1
InChIInChI=1S/C12H15BrClN/c13-11-5-3-6-12(14)10(11)8-9-4-1-2-7-15-9/h3,5-6,9,15H,1-2,4,7-8H2
InChIKeySXJAUKYLIPOHQX-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 117445162
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387667
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine
CID 23146342
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389
4-chloro-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84640324

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-chlorophenyl)methyl]piperidine?
The IUPAC name of 2-[(2-bromo-6-chlorophenyl)methyl]piperidine (CID 117466290) is 2-[(2-bromo-6-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2-bromo-6-chlorophenyl)methyl]piperidine?
The canonical SMILES for 2-[(2-bromo-6-chlorophenyl)methyl]piperidine is Clc1cccc(Br)c1CC1CCCCN1.
What is the InChIKey of 2-[(2-bromo-6-chlorophenyl)methyl]piperidine?
The InChIKey is SXJAUKYLIPOHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c13-11-5-3-6-12(14)10(11)8-9-4-1-2-7-15-9/h3,5-6,9,15H,1-2,4,7-8H2.
What are the key properties of 2-[(2-bromo-6-chlorophenyl)methyl]piperidine?
2-[(2-bromo-6-chlorophenyl)methyl]piperidine has a molecular weight of 288.62 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 117466290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).