3-(2-bromoethyl)-1-pentylpiperidine

C12H24BrN — CID 80690908

IUPAC3-(2-bromoethyl)-1-pentylpiperidine
SMILESCCCCCN1CCCC(CCBr)C1
InChIInChI=1S/C12H24BrN/c1-2-3-4-9-14-10-5-6-12(11-14)7-8-13/h12H,2-11H2,1H3
InChIKeyURPZPHLWGMJUPL-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.67
Rot. Bonds6

About 3-(2-bromoethyl)-1-pentylpiperidine

3-(2-bromoethyl)-1-pentylpiperidine (PubChem CID 80690908) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-pentylpiperidine.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-pentylpiperidine
PubChem CID80690908
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC Name3-(2-bromoethyl)-1-pentylpiperidine
SMILESCCCCCN1CCCC(CCBr)C1
InChIInChI=1S/C12H24BrN/c1-2-3-4-9-14-10-5-6-12(11-14)7-8-13/h12H,2-11H2,1H3
InChIKeyURPZPHLWGMJUPL-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.67
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

1,3-di(tridecyl)piperidine
CID 162511834
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
3-butyl-1-dodecylpiperidine
CID 171569666
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
3-ethyl-1-heptylpiperidine
CID 171569576
2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
CID 107913841
3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
CID 175874954
3-butyl-1-hexylpyrrolidine
CID 171570679
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-pentylpiperidine?
The IUPAC name of 3-(2-bromoethyl)-1-pentylpiperidine (CID 80690908) is 3-(2-bromoethyl)-1-pentylpiperidine.
What is the SMILES notation for 3-(2-bromoethyl)-1-pentylpiperidine?
The canonical SMILES for 3-(2-bromoethyl)-1-pentylpiperidine is CCCCCN1CCCC(CCBr)C1.
What is the InChIKey of 3-(2-bromoethyl)-1-pentylpiperidine?
The InChIKey is URPZPHLWGMJUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-2-3-4-9-14-10-5-6-12(11-14)7-8-13/h12H,2-11H2,1H3.
What are the key properties of 3-(2-bromoethyl)-1-pentylpiperidine?
3-(2-bromoethyl)-1-pentylpiperidine has a molecular weight of 262.23 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-pentylpiperidine is sourced from PubChem (CID 80690908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).