1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine

C15H22BrNO2 — CID 169337129

IUPAC1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
SMILESCOc1cc(Br)ccc1OCCCN1CCCCC1
InChIInChI=1S/C15H22BrNO2/c1-18-15-12-13(16)6-7-14(15)19-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11H2,1H3
InChIKeyDQCJMTYXJVNECN-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.71
Rot. Bonds6

About 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine

1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine (PubChem CID 169337129) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
PubChem CID169337129
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
SMILESCOc1cc(Br)ccc1OCCCN1CCCCC1
InChIInChI=1S/C15H22BrNO2/c1-18-15-12-13(16)6-7-14(15)19-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11H2,1H3
InChIKeyDQCJMTYXJVNECN-UHFFFAOYSA-N
XLogP3.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
1-[3-[4-bromo-2-(3-pyrrolidin-1-ylpropoxy)phenoxy]propyl]pyrrolidin-3-ol
CID 142298892
1-[4-(4-bromo-2-methylphenoxy)butyl]azepane;oxalic acid
CID 2943843
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
1-[3-(4-bromo-2-chlorophenoxy)propyl]piperidine;oxalic acid
CID 2924033
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
1-[3-(2-bromo-4-methylphenoxy)propyl]pyrrolidine
CID 2299479
4-bromo-N-(4-piperidin-1-ylbutyl)-2-(2-piperidin-1-ylethoxy)aniline
CID 162458015
1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine
CID 2296492
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine (CID 169337129) is 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine is COc1cc(Br)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine?
The InChIKey is DQCJMTYXJVNECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-18-15-12-13(16)6-7-14(15)19-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine?
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine has a molecular weight of 328.25 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine is sourced from PubChem (CID 169337129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).