2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine

C15H22BrNO — CID 117497494

IUPAC2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
SMILESCOc1c(C(C)C)cc(Br)cc1C1CCCCN1
InChIInChI=1S/C15H22BrNO/c1-10(2)12-8-11(16)9-13(15(12)18-3)14-6-4-5-7-17-14/h8-10,14,17H,4-7H2,1-3H3
InChIKeyYILKSEYEEOZIRQ-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.40
Rot. Bonds3

About 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine

2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine (PubChem CID 117497494) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
PubChem CID117497494
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
SMILESCOc1c(C(C)C)cc(Br)cc1C1CCCCN1
InChIInChI=1S/C15H22BrNO/c1-10(2)12-8-11(16)9-13(15(12)18-3)14-6-4-5-7-17-14/h8-10,14,17H,4-7H2,1-3H3
InChIKeyYILKSEYEEOZIRQ-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497485
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]pyrrolidine
CID 84702557
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
The IUPAC name of 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine (CID 117497494) is 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
The canonical SMILES for 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine is COc1c(C(C)C)cc(Br)cc1C1CCCCN1.
What is the InChIKey of 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
The InChIKey is YILKSEYEEOZIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10(2)12-8-11(16)9-13(15(12)18-3)14-6-4-5-7-17-14/h8-10,14,17H,4-7H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine?
2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine has a molecular weight of 312.25 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117497494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).