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

C14H20BrNO — CID 86321965

IUPAC(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
SMILESCCc1cc(Br)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C14H20BrNO/c1-2-12-8-13(15)5-6-14(12)17-10-11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9-10H2,1H3/t11-/m1/s1
InChIKeyGQTZSRIZWTVMNR-LLVKDONJSA-N
MW298.22 g/mol
LogP3.39
Rot. Bonds4

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

(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine (PubChem CID 86321965) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
PubChem CID86321965
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
SMILESCCc1cc(Br)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C14H20BrNO/c1-2-12-8-13(15)5-6-14(12)17-10-11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9-10H2,1H3/t11-/m1/s1
InChIKeyGQTZSRIZWTVMNR-LLVKDONJSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
3-[(4-bromo-2-nitrophenoxy)methyl]piperidine
CID 55211128
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]piperidine
CID 86322062
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
(3S)-3-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 86321601
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 170887455
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine
CID 117497365

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine (CID 86321965) is (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine is CCc1cc(Br)ccc1OC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine?
The InChIKey is GQTZSRIZWTVMNR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-12-8-13(15)5-6-14(12)17-10-11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine?
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine has a molecular weight of 298.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine is sourced from PubChem (CID 86321965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).