1-(9-bromononyl)-4,4-diethylpiperidine

C18H36BrN — CID 105343769

IUPAC1-(9-bromononyl)-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(CCCCCCCCCBr)CC1
InChIInChI=1S/C18H36BrN/c1-3-18(4-2)12-16-20(17-13-18)15-11-9-7-5-6-8-10-14-19/h3-17H2,1-2H3
InChIKeyVHTBSFJOFXRGEL-UHFFFAOYSA-N
MW346.40 g/mol
LogP6.01
Rot. Bonds11

About 1-(9-bromononyl)-4,4-diethylpiperidine

1-(9-bromononyl)-4,4-diethylpiperidine (PubChem CID 105343769) has the molecular formula C18H36BrN and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-(9-bromononyl)-4,4-diethylpiperidine.

Molecular Properties

Compound Name1-(9-bromononyl)-4,4-diethylpiperidine
PubChem CID105343769
Molecular FormulaC18H36BrN
Molecular Weight346.40 g/mol
Exact Mass345.20
IUPAC Name1-(9-bromononyl)-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(CCCCCCCCCBr)CC1
InChIInChI=1S/C18H36BrN/c1-3-18(4-2)12-16-20(17-13-18)15-11-9-7-5-6-8-10-14-19/h3-17H2,1-2H3
InChIKeyVHTBSFJOFXRGEL-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 56.01
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

7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
1-(5-bromopentyl)-1-ethylcyclobutane
CID 90128620
4-(4,4-diethylpiperidin-1-yl)butanehydrazide
CID 63583162
3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
CID 112594762
1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818942
4,4-difluoro-1-heptylpiperidine
CID 138507375
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1-[4-(9-bromononyl)-1,4-diazepan-1-yl]ethanone
CID 105343708
1-hexyl-4,4-dimethylpiperidine
CID 18722930
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononyl)-4,4-diethylpiperidine?
The IUPAC name of 1-(9-bromononyl)-4,4-diethylpiperidine (CID 105343769) is 1-(9-bromononyl)-4,4-diethylpiperidine.
What is the SMILES notation for 1-(9-bromononyl)-4,4-diethylpiperidine?
The canonical SMILES for 1-(9-bromononyl)-4,4-diethylpiperidine is CCC1(CC)CCN(CCCCCCCCCBr)CC1.
What is the InChIKey of 1-(9-bromononyl)-4,4-diethylpiperidine?
The InChIKey is VHTBSFJOFXRGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BrN/c1-3-18(4-2)12-16-20(17-13-18)15-11-9-7-5-6-8-10-14-19/h3-17H2,1-2H3.
What are the key properties of 1-(9-bromononyl)-4,4-diethylpiperidine?
1-(9-bromononyl)-4,4-diethylpiperidine has a molecular weight of 346.40 g/mol, XLogP of 6.01, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononyl)-4,4-diethylpiperidine is sourced from PubChem (CID 105343769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).