1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine

C16H24BrNO — CID 25267143

IUPAC1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
SMILESBrCCCCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H24BrNO/c17-10-2-5-13-19-16-8-6-15(7-9-16)14-18-11-3-1-4-12-18/h6-9H,1-5,10-14H2
InChIKeyXYWMACAMJZAMDO-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.23
Rot. Bonds7

About 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine

1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine (PubChem CID 25267143) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
PubChem CID25267143
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
SMILESBrCCCCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H24BrNO/c17-10-2-5-13-19-16-8-6-15(7-9-16)14-18-11-3-1-4-12-18/h6-9H,1-5,10-14H2
InChIKeyXYWMACAMJZAMDO-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 46929919
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
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1-[(4-prop-2-enoxyphenyl)methyl]piperidine
CID 2281055
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol
CID 54341207
1-tert-butyl-3-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 10089065

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine (CID 25267143) is 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine is BrCCCCOc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine?
The InChIKey is XYWMACAMJZAMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c17-10-2-5-13-19-16-8-6-15(7-9-16)14-18-11-3-1-4-12-18/h6-9H,1-5,10-14H2.
What are the key properties of 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine?
1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine has a molecular weight of 326.28 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 25267143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).