4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine

C15H22BrNO — CID 170313042

IUPAC4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine
SMILESCc1cc(OCCCC2CCNCC2)ccc1Br
InChIInChI=1S/C15H22BrNO/c1-12-11-14(4-5-15(12)16)18-10-2-3-13-6-8-17-9-7-13/h4-5,11,13,17H,2-3,6-10H2,1H3
InChIKeyRFZKODUIVLYJBH-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.92
Rot. Bonds5

About 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine

4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine (PubChem CID 170313042) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine
PubChem CID170313042
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine
SMILESCc1cc(OCCCC2CCNCC2)ccc1Br
InChIInChI=1S/C15H22BrNO/c1-12-11-14(4-5-15(12)16)18-10-2-3-13-6-8-17-9-7-13/h4-5,11,13,17H,2-3,6-10H2,1H3
InChIKeyRFZKODUIVLYJBH-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-3-(4-bromo-3-methylphenoxy)-2-methylpropyl]piperidine
CID 170321096
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide
CID 70666352
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338
3-[(4-bromo-3-methylphenoxy)methyl]piperidine;hydrochloride
CID 56830761
4-(4-bromo-3-methylphenoxy)-2,2-dimethylbutanenitrile
CID 83133871
4-[3-(3,4-dimethylphenoxy)propyl]oxane
CID 165029250
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751
4-(4-bromo-3-methylphenoxy)butane-1-thiol
CID 83134310
tert-butyl (2R,4S)-4-[3-(4-bromo-3-methylphenoxy)propyl]-2-methylpiperidine-1-carboxylate
CID 170529763

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine?
The IUPAC name of 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine (CID 170313042) is 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine.
What is the SMILES notation for 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine?
The canonical SMILES for 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine is Cc1cc(OCCCC2CCNCC2)ccc1Br.
What is the InChIKey of 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine?
The InChIKey is RFZKODUIVLYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-11-14(4-5-15(12)16)18-10-2-3-13-6-8-17-9-7-13/h4-5,11,13,17H,2-3,6-10H2,1H3.
What are the key properties of 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine?
4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine is sourced from PubChem (CID 170313042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).