4-[(4-bromo-3-propoxyphenyl)methyl]piperidine

C15H22BrNO — CID 58270913

IUPAC4-[(4-bromo-3-propoxyphenyl)methyl]piperidine
SMILESCCCOc1cc(CC2CCNCC2)ccc1Br
InChIInChI=1S/C15H22BrNO/c1-2-9-18-15-11-13(3-4-14(15)16)10-12-5-7-17-8-6-12/h3-4,11-12,17H,2,5-10H2,1H3
InChIKeyHVFNMDARUFTGNU-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.78
Rot. Bonds5

About 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine

4-[(4-bromo-3-propoxyphenyl)methyl]piperidine (PubChem CID 58270913) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-bromo-3-propoxyphenyl)methyl]piperidine
PubChem CID58270913
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[(4-bromo-3-propoxyphenyl)methyl]piperidine
SMILESCCCOc1cc(CC2CCNCC2)ccc1Br
InChIInChI=1S/C15H22BrNO/c1-2-9-18-15-11-13(3-4-14(15)16)10-12-5-7-17-8-6-12/h3-4,11-12,17H,2,5-10H2,1H3
InChIKeyHVFNMDARUFTGNU-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine (CID 58270913) is 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine is CCCOc1cc(CC2CCNCC2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine?
The InChIKey is HVFNMDARUFTGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-9-18-15-11-13(3-4-14(15)16)10-12-5-7-17-8-6-12/h3-4,11-12,17H,2,5-10H2,1H3.
What are the key properties of 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine?
4-[(4-bromo-3-propoxyphenyl)methyl]piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-propoxyphenyl)methyl]piperidine is sourced from PubChem (CID 58270913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).