1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine

C16H24BrNO — CID 2269735

IUPAC1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine
SMILESCC1CCN(CCCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrNO/c1-14-8-11-18(12-9-14)10-2-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyXNMPBJPSKZLOPM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.34
Rot. Bonds6

About 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine

1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine (PubChem CID 2269735) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine
PubChem CID2269735
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine
SMILESCC1CCN(CCCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrNO/c1-14-8-11-18(12-9-14)10-2-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyXNMPBJPSKZLOPM-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
N-(2-(p-bromophenoxy)ethyl)pyrrolidine
CID 70657
4-(4-Bromo-phenoxymethyl)-1-(3-fluoro-propyl)-piperidine
CID 10568394
4-(4-Bromo-phenoxymethyl)-1-cyclopropylmethyl-piperidine
CID 44290360
1-Cyclopropylmethyl-4-(4-iodo-phenoxymethyl)-piperidine
CID 44290508
4-(3-Bromo-phenoxymethyl)-1-cyclopropylmethyl-piperidine
CID 44290522
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
1-[4-(2-Bromophenoxy)butyl]piperidine
CID 2304735
2-(4-bromophenoxy)-N,N-diethylethanamine
CID 423953
4-[(4-Bromo-phenoxy)-phenyl-methyl]-piperidine
CID 9819594
1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-piperidine
CID 10015631
1-[2-(4-Bromophenoxy)ethyl]piperidine
CID 867195

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine?
The IUPAC name of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine (CID 2269735) is 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine is CC1CCN(CCCCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine?
The InChIKey is XNMPBJPSKZLOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-14-8-11-18(12-9-14)10-2-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine?
1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine has a molecular weight of 326.28 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenoxy)butyl]-4-methylpiperidine is sourced from PubChem (CID 2269735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).