(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine

C22H28BrNO — CID 86320218

IUPAC(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C22H28BrNO/c1-22(2,17-8-4-3-5-9-17)18-11-12-21(20(23)16-18)25-15-13-19-10-6-7-14-24-19/h3-5,8-9,11-12,16,19,24H,6-7,10,13-15H2,1-2H3/t19-/m1/s1
InChIKeyBIZACYMNRXBVGM-LJQANCHMSA-N
MW402.38 g/mol
LogP5.69
Rot. Bonds6

About (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine

(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine (PubChem CID 86320218) has the molecular formula C22H28BrNO and a molecular weight of 402.38 g/mol. Its IUPAC name is (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
PubChem CID86320218
Molecular FormulaC22H28BrNO
Molecular Weight402.38 g/mol
Exact Mass401.14
IUPAC Name(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C22H28BrNO/c1-22(2,17-8-4-3-5-9-17)18-11-12-21(20(23)16-18)25-15-13-19-10-6-7-14-24-19/h3-5,8-9,11-12,16,19,24H,6-7,10,13-15H2,1-2H3/t19-/m1/s1
InChIKeyBIZACYMNRXBVGM-LJQANCHMSA-N
XLogP5.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.38
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321567
(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565
(3R)-3-[[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidine
CID 86322185
3-[[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 53409587
2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
CID 56829706
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine
CID 53408946
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine?
The IUPAC name of (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine (CID 86320218) is (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine is CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1.
What is the InChIKey of (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine?
The InChIKey is BIZACYMNRXBVGM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28BrNO/c1-22(2,17-8-4-3-5-9-17)18-11-12-21(20(23)16-18)25-15-13-19-10-6-7-14-24-19/h3-5,8-9,11-12,16,19,24H,6-7,10,13-15H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine?
(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine has a molecular weight of 402.38 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 86320218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).