(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine

C12H15BrClN — CID 97103063

IUPAC(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClN/c1-9-4-2-3-7-15(9)12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyMRXPMIKZNLPMMG-SECBINFHSA-N
MW288.62 g/mol
LogP4.48
Rot. Bonds1

About (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine

(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine (PubChem CID 97103063) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
PubChem CID97103063
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClN/c1-9-4-2-3-7-15(9)12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyMRXPMIKZNLPMMG-SECBINFHSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 91677014
1-[2-chloro-4-(chloromethyl)phenyl]-2-methylazepane
CID 81150934
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
4-bromo-2-(2-methylpiperidin-1-yl)benzaldehyde
CID 43364627
1-[5-bromo-2-(2-methylazepan-1-yl)phenyl]ethanol
CID 82970582
1-[4-bromo-2-(2-methylazepan-1-yl)phenyl]ethanone
CID 82967461
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
3-chloro-4-(2-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 63086947

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine?
The IUPAC name of (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine (CID 97103063) is (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine?
The canonical SMILES for (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine is C[C@@H]1CCCCN1c1ccc(Br)cc1Cl.
What is the InChIKey of (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine?
The InChIKey is MRXPMIKZNLPMMG-SECBINFHSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-9-4-2-3-7-15(9)12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine?
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine has a molecular weight of 288.62 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine is sourced from PubChem (CID 97103063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).