(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine

C19H22BrN — CID 118395762

IUPAC(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine
SMILESC[C@H](c1ccccc1)N1CCCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN/c1-15(16-7-3-2-4-8-16)21-14-6-5-9-19(21)17-10-12-18(20)13-11-17/h2-4,7-8,10-13,15,19H,5-6,9,14H2,1H3/t15-,19+/m1/s1
InChIKeyASPNOHZIVGOUPC-BEFAXECRSA-N
MW344.30 g/mol
LogP5.74
Rot. Bonds3

About (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine

(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine (PubChem CID 118395762) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine
PubChem CID118395762
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine
SMILESC[C@H](c1ccccc1)N1CCCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN/c1-15(16-7-3-2-4-8-16)21-14-6-5-9-19(21)17-10-12-18(20)13-11-17/h2-4,7-8,10-13,15,19H,5-6,9,14H2,1H3/t15-,19+/m1/s1
InChIKeyASPNOHZIVGOUPC-BEFAXECRSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
CID 61263705
(2S)-2-phenyl-1-propan-2-ylpiperidine
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3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
CID 101170650
1-butan-2-yl-2-phenylpiperidine
CID 167239134
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine?
The IUPAC name of (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine (CID 118395762) is (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine?
The canonical SMILES for (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine is C[C@H](c1ccccc1)N1CCCC[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine?
The InChIKey is ASPNOHZIVGOUPC-BEFAXECRSA-N. The full InChI is InChI=1S/C19H22BrN/c1-15(16-7-3-2-4-8-16)21-14-6-5-9-19(21)17-10-12-18(20)13-11-17/h2-4,7-8,10-13,15,19H,5-6,9,14H2,1H3/t15-,19+/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine?
(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine has a molecular weight of 344.30 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine is sourced from PubChem (CID 118395762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).