4-bromo-3-methyl-1-(4-methylpentyl)piperidine

C12H24BrN — CID 114682378

IUPAC4-bromo-3-methyl-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCC(Br)C(C)C1
InChIInChI=1S/C12H24BrN/c1-10(2)5-4-7-14-8-6-12(13)11(3)9-14/h10-12H,4-9H2,1-3H3
InChIKeyYSUYGFDSOAFBFA-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.53
Rot. Bonds4

About 4-bromo-3-methyl-1-(4-methylpentyl)piperidine

4-bromo-3-methyl-1-(4-methylpentyl)piperidine (PubChem CID 114682378) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(4-methylpentyl)piperidine
PubChem CID114682378
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC Name4-bromo-3-methyl-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCC(Br)C(C)C1
InChIInChI=1S/C12H24BrN/c1-10(2)5-4-7-14-8-6-12(13)11(3)9-14/h10-12H,4-9H2,1-3H3
InChIKeyYSUYGFDSOAFBFA-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-methyl-1-(3-methylbutyl)piperidine
CID 114682410
4-bromo-1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylpiperidine
CID 114682409
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
4-bromo-3-methyl-1-(2-propoxyethyl)piperidine
CID 106457883
4-bromo-3-methyl-1-[4-(oxan-4-yl)butyl]piperidine
CID 114192677
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
3-methyl-1-(7-methyloctyl)-N-propylpiperidin-4-amine
CID 107815366
3-bromo-1-(3-fluoropropyl)-4-methylpiperidine
CID 102960408
3-fluoro-1-(4-methylpentyl)piperidine
CID 58664939
N-methyl-1-(4-methylpentyl)-N-(2-methylpropyl)piperidin-4-amine
CID 138728385

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(4-methylpentyl)piperidine?
The IUPAC name of 4-bromo-3-methyl-1-(4-methylpentyl)piperidine (CID 114682378) is 4-bromo-3-methyl-1-(4-methylpentyl)piperidine.
What is the SMILES notation for 4-bromo-3-methyl-1-(4-methylpentyl)piperidine?
The canonical SMILES for 4-bromo-3-methyl-1-(4-methylpentyl)piperidine is CC(C)CCCN1CCC(Br)C(C)C1.
What is the InChIKey of 4-bromo-3-methyl-1-(4-methylpentyl)piperidine?
The InChIKey is YSUYGFDSOAFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-10(2)5-4-7-14-8-6-12(13)11(3)9-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-bromo-3-methyl-1-(4-methylpentyl)piperidine?
4-bromo-3-methyl-1-(4-methylpentyl)piperidine has a molecular weight of 262.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-(4-methylpentyl)piperidine is sourced from PubChem (CID 114682378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).