(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine

C18H20BrNO — CID 86322131

IUPAC(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
SMILESBrc1cc(-c2ccccc2)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C18H20BrNO/c19-17-11-16(15-6-2-1-3-7-15)8-9-18(17)21-13-14-5-4-10-20-12-14/h1-3,6-9,11,14,20H,4-5,10,12-13H2/t14-/m1/s1
InChIKeyATPAZUVNAOIACA-CQSZACIVSA-N
MW346.27 g/mol
LogP4.49
Rot. Bonds4

About (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine

(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine (PubChem CID 86322131) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
PubChem CID86322131
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
SMILESBrc1cc(-c2ccccc2)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C18H20BrNO/c19-17-11-16(15-6-2-1-3-7-15)8-9-18(17)21-13-14-5-4-10-20-12-14/h1-3,6-9,11,14,20H,4-5,10,12-13H2/t14-/m1/s1
InChIKeyATPAZUVNAOIACA-CQSZACIVSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
(3R)-3-[[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidine
CID 86322185
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]piperidine
CID 86322062
(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
CID 26190840
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-[(4-bromo-2-phenylphenoxy)methyl]pyrrolidine;hydrochloride
CID 56829708
3-[[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 53409587

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine (CID 86322131) is (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine is Brc1cc(-c2ccccc2)ccc1OC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine?
The InChIKey is ATPAZUVNAOIACA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-17-11-16(15-6-2-1-3-7-15)8-9-18(17)21-13-14-5-4-10-20-12-14/h1-3,6-9,11,14,20H,4-5,10,12-13H2/t14-/m1/s1.
What are the key properties of (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine?
(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine has a molecular weight of 346.27 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine is sourced from PubChem (CID 86322131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).