4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine

C15H22BrNO — CID 117497527

IUPAC4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine
SMILESCOc1cc(C(C)C)cc(C2CCNCC2)c1Br
InChIInChI=1S/C15H22BrNO/c1-10(2)12-8-13(11-4-6-17-7-5-11)15(16)14(9-12)18-3/h8-11,17H,4-7H2,1-3H3
InChIKeyBYNGMDDXCRXFPC-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.05
Rot. Bonds3

About 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine

4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine (PubChem CID 117497527) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine
PubChem CID117497527
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine
SMILESCOc1cc(C(C)C)cc(C2CCNCC2)c1Br
InChIInChI=1S/C15H22BrNO/c1-10(2)12-8-13(11-4-6-17-7-5-11)15(16)14(9-12)18-3/h8-11,17H,4-7H2,1-3H3
InChIKeyBYNGMDDXCRXFPC-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
CID 117480591
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
4-(2-methoxyphenyl)piperidine
CID 544738
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
CID 117499628
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
1-[(R)-(4-bromo-3,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171288222
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine?
The IUPAC name of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine (CID 117497527) is 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine is COc1cc(C(C)C)cc(C2CCNCC2)c1Br.
What is the InChIKey of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine?
The InChIKey is BYNGMDDXCRXFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10(2)12-8-13(11-4-6-17-7-5-11)15(16)14(9-12)18-3/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine?
4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine has a molecular weight of 312.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117497527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).