2-(3-bromophenyl)-2-propylpiperidine

C14H20BrN — CID 115058689

IUPAC2-(3-bromophenyl)-2-propylpiperidine
SMILESCCCC1(c2cccc(Br)c2)CCCCN1
InChIInChI=1S/C14H20BrN/c1-2-8-14(9-3-4-10-16-14)12-6-5-7-13(15)11-12/h5-7,11,16H,2-4,8-10H2,1H3
InChIKeyZQGNFBTZQIBPJN-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.22
Rot. Bonds3

About 2-(3-bromophenyl)-2-propylpiperidine

2-(3-bromophenyl)-2-propylpiperidine (PubChem CID 115058689) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-propylpiperidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-propylpiperidine
PubChem CID115058689
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-(3-bromophenyl)-2-propylpiperidine
SMILESCCCC1(c2cccc(Br)c2)CCCCN1
InChIInChI=1S/C14H20BrN/c1-2-8-14(9-3-4-10-16-14)12-6-5-7-13(15)11-12/h5-7,11,16H,2-4,8-10H2,1H3
InChIKeyZQGNFBTZQIBPJN-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-2-propylazepane
CID 79117631
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
2-(3,4-difluorophenyl)-2-propylazepane
CID 79117432
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
3-(2-propylpyrrolidin-2-yl)pyridine
CID 66468075
2-(3-chlorophenyl)-2-ethylpiperidine
CID 115058675
3-(2-propylazetidin-2-yl)phenol
CID 115058562
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
2-propyl-2-thiophen-3-ylazepane
CID 79117212
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine
CID 115059371

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-propylpiperidine?
The IUPAC name of 2-(3-bromophenyl)-2-propylpiperidine (CID 115058689) is 2-(3-bromophenyl)-2-propylpiperidine.
What is the SMILES notation for 2-(3-bromophenyl)-2-propylpiperidine?
The canonical SMILES for 2-(3-bromophenyl)-2-propylpiperidine is CCCC1(c2cccc(Br)c2)CCCCN1.
What is the InChIKey of 2-(3-bromophenyl)-2-propylpiperidine?
The InChIKey is ZQGNFBTZQIBPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-8-14(9-3-4-10-16-14)12-6-5-7-13(15)11-12/h5-7,11,16H,2-4,8-10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-propylpiperidine?
2-(3-bromophenyl)-2-propylpiperidine has a molecular weight of 282.22 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-propylpiperidine is sourced from PubChem (CID 115058689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).