2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine

C15H20BrNO — CID 117495184

IUPAC2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine
SMILESBrc1cc(C2CCCCN2)ccc1C1CCOC1
InChIInChI=1S/C15H20BrNO/c16-14-9-11(15-3-1-2-7-17-15)4-5-13(14)12-6-8-18-10-12/h4-5,9,12,15,17H,1-3,6-8,10H2
InChIKeyAXKGMVXNHWXGCJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.77
Rot. Bonds2

About 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine

2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine (PubChem CID 117495184) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine
PubChem CID117495184
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine
SMILESBrc1cc(C2CCCCN2)ccc1C1CCOC1
InChIInChI=1S/C15H20BrNO/c16-14-9-11(15-3-1-2-7-17-15)4-5-13(14)12-6-8-18-10-12/h4-5,9,12,15,17H,1-3,6-8,10H2
InChIKeyAXKGMVXNHWXGCJ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine
CID 117497013
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-(3-bromo-4-pentan-3-ylphenyl)piperidine
CID 117495247
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-(2,4-dibromophenyl)azepane
CID 107938538
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine?
The IUPAC name of 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine (CID 117495184) is 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine.
What is the SMILES notation for 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine?
The canonical SMILES for 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine is Brc1cc(C2CCCCN2)ccc1C1CCOC1.
What is the InChIKey of 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine?
The InChIKey is AXKGMVXNHWXGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-14-9-11(15-3-1-2-7-17-15)4-5-13(14)12-6-8-18-10-12/h4-5,9,12,15,17H,1-3,6-8,10H2.
What are the key properties of 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine?
2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine has a molecular weight of 310.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine is sourced from PubChem (CID 117495184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).