4-(2-bromo-4-tert-butylphenoxy)piperidine

C15H22BrNO — CID 56830744

IUPAC4-(2-bromo-4-tert-butylphenoxy)piperidine
SMILESCC(C)(C)c1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-15(2,3)11-4-5-14(13(16)10-11)18-12-6-8-17-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyGFZBWPFDZCLATP-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.88
Rot. Bonds2

About 4-(2-bromo-4-tert-butylphenoxy)piperidine

4-(2-bromo-4-tert-butylphenoxy)piperidine (PubChem CID 56830744) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-(2-bromo-4-tert-butylphenoxy)piperidine.

Molecular Properties

Compound Name4-(2-bromo-4-tert-butylphenoxy)piperidine
PubChem CID56830744
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-(2-bromo-4-tert-butylphenoxy)piperidine
SMILESCC(C)(C)c1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-15(2,3)11-4-5-14(13(16)10-11)18-12-6-8-17-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyGFZBWPFDZCLATP-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
4-tert-butyl-2-piperidin-4-yloxybenzoyl chloride
CID 86634203
4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
CID 86322054
4-(2-bromo-4-butan-2-ylphenoxy)piperidine
CID 56830691
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499
3-[2-bromo-4-[2-[3-bromo-4-(3-hydroxycyclohexyl)oxyphenyl]propan-2-yl]phenoxy]cyclohexan-1-ol
CID 176584512
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)piperidine?
The IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)piperidine (CID 56830744) is 4-(2-bromo-4-tert-butylphenoxy)piperidine.
What is the SMILES notation for 4-(2-bromo-4-tert-butylphenoxy)piperidine?
The canonical SMILES for 4-(2-bromo-4-tert-butylphenoxy)piperidine is CC(C)(C)c1ccc(OC2CCNCC2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-tert-butylphenoxy)piperidine?
The InChIKey is GFZBWPFDZCLATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2,3)11-4-5-14(13(16)10-11)18-12-6-8-17-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3.
What are the key properties of 4-(2-bromo-4-tert-butylphenoxy)piperidine?
4-(2-bromo-4-tert-butylphenoxy)piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-tert-butylphenoxy)piperidine is sourced from PubChem (CID 56830744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).