1-(5-bromopentyl)-3-methoxy-3-methylpiperidine

C12H24BrNO — CID 107394409

IUPAC1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CCCCCBr)C1
InChIInChI=1S/C12H24BrNO/c1-12(15-2)7-6-10-14(11-12)9-5-3-4-8-13/h3-11H2,1-2H3
InChIKeyAULINWJROZRAOY-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.05
Rot. Bonds6

About 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine

1-(5-bromopentyl)-3-methoxy-3-methylpiperidine (PubChem CID 107394409) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine.

Molecular Properties

Compound Name1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
PubChem CID107394409
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CCCCCBr)C1
InChIInChI=1S/C12H24BrNO/c1-12(15-2)7-6-10-14(11-12)9-5-3-4-8-13/h3-11H2,1-2H3
InChIKeyAULINWJROZRAOY-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.05
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

3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
5-bromo-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107910812
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 107394621
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine?
The IUPAC name of 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine (CID 107394409) is 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine.
What is the SMILES notation for 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine?
The canonical SMILES for 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine is COC1(C)CCCN(CCCCCBr)C1.
What is the InChIKey of 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine?
The InChIKey is AULINWJROZRAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-12(15-2)7-6-10-14(11-12)9-5-3-4-8-13/h3-11H2,1-2H3.
What are the key properties of 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine?
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine has a molecular weight of 278.23 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentyl)-3-methoxy-3-methylpiperidine is sourced from PubChem (CID 107394409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).