1-(9-bromononyl)-3,5-dimethylpiperidine

C16H32BrN — CID 105343565

IUPAC1-(9-bromononyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCCCCCCCBr)C1
InChIInChI=1S/C16H32BrN/c1-15-12-16(2)14-18(13-15)11-9-7-5-3-4-6-8-10-17/h15-16H,3-14H2,1-2H3
InChIKeyOKXAKHBULXUFBZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.09
Rot. Bonds9

About 1-(9-bromononyl)-3,5-dimethylpiperidine

1-(9-bromononyl)-3,5-dimethylpiperidine (PubChem CID 105343565) has the molecular formula C16H32BrN and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(9-bromononyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(9-bromononyl)-3,5-dimethylpiperidine
PubChem CID105343565
Molecular FormulaC16H32BrN
Molecular Weight318.34 g/mol
Exact Mass317.17
IUPAC Name1-(9-bromononyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCCCCCCCBr)C1
InChIInChI=1S/C16H32BrN/c1-15-12-16(2)14-18(13-15)11-9-7-5-3-4-6-8-10-17/h15-16H,3-14H2,1-2H3
InChIKeyOKXAKHBULXUFBZ-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
CID 55070235
6-(3,5-dimethylpiperidin-1-yl)hexan-3-one
CID 106801147
5-bromo-1-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 107907086
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 112594595
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124
1-(3-azidopropyl)-3,5-dimethylpiperidine
CID 61396749
1-amino-6-(3,5-dimethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818763
(3S,5R)-3,5-dimethyl-1-[2-[3-(3-pyrrolidin-1-ylpropyl)imidazolidin-1-yl]ethyl]piperidine
CID 173171965

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(9-bromononyl)-3,5-dimethylpiperidine (CID 105343565) is 1-(9-bromononyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(9-bromononyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(9-bromononyl)-3,5-dimethylpiperidine is CC1CC(C)CN(CCCCCCCCCBr)C1.
What is the InChIKey of 1-(9-bromononyl)-3,5-dimethylpiperidine?
The InChIKey is OKXAKHBULXUFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrN/c1-15-12-16(2)14-18(13-15)11-9-7-5-3-4-6-8-10-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-(9-bromononyl)-3,5-dimethylpiperidine?
1-(9-bromononyl)-3,5-dimethylpiperidine has a molecular weight of 318.34 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 105343565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).