4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine

C16H24BrNO — CID 170321096

IUPAC4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine
SMILESCc1cc(OC[C@H](C)CC2CCNCC2)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-12(9-14-5-7-18-8-6-14)11-19-15-3-4-16(17)13(2)10-15/h3-4,10,12,14,18H,5-9,11H2,1-2H3/t12-/m1/s1
InChIKeyPHEMTWUKGULUOH-GFCCVEGCSA-N
MW326.28 g/mol
LogP4.16
Rot. Bonds5

About 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine

4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine (PubChem CID 170321096) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine
PubChem CID170321096
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine
SMILESCc1cc(OC[C@H](C)CC2CCNCC2)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-12(9-14-5-7-18-8-6-14)11-19-15-3-4-16(17)13(2)10-15/h3-4,10,12,14,18H,5-9,11H2,1-2H3/t12-/m1/s1
InChIKeyPHEMTWUKGULUOH-GFCCVEGCSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine
CID 170313042
(2S)-1-(4-bromo-3-methylphenoxy)propan-2-ol
CID 106933180
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
3-(4-bromo-3-methylphenoxy)-2-methylpropane-1-sulfonyl chloride
CID 83134690
3-[(4-bromo-3-methylphenoxy)methyl]piperidine;hydrochloride
CID 56830761
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
CID 83140423
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
1-bromo-4-(2,2-diethoxyethoxy)-2-methylbenzene
CID 83141135
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
2-bromo-5-(piperidin-4-ylmethoxy)benzonitrile
CID 90018451

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine?
The IUPAC name of 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine (CID 170321096) is 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine.
What is the SMILES notation for 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine?
The canonical SMILES for 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine is Cc1cc(OC[C@H](C)CC2CCNCC2)ccc1Br.
What is the InChIKey of 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine?
The InChIKey is PHEMTWUKGULUOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(9-14-5-7-18-8-6-14)11-19-15-3-4-16(17)13(2)10-15/h3-4,10,12,14,18H,5-9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine?
4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine has a molecular weight of 326.28 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine is sourced from PubChem (CID 170321096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).