3-chloro-1-(2-ethylbutyl)piperidine

C11H22ClN — CID 82924534

IUPAC3-chloro-1-(2-ethylbutyl)piperidine
SMILESCCC(CC)CN1CCCC(Cl)C1
InChIInChI=1S/C11H22ClN/c1-3-10(4-2)8-13-7-5-6-11(12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyIUIUMRCVGLPQOZ-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-1-(2-ethylbutyl)piperidine

3-chloro-1-(2-ethylbutyl)piperidine (PubChem CID 82924534) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 3-chloro-1-(2-ethylbutyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(2-ethylbutyl)piperidine
PubChem CID82924534
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name3-chloro-1-(2-ethylbutyl)piperidine
SMILESCCC(CC)CN1CCCC(Cl)C1
InChIInChI=1S/C11H22ClN/c1-3-10(4-2)8-13-7-5-6-11(12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyIUIUMRCVGLPQOZ-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.13
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

3-bromo-1-(2-ethylbutyl)piperidine
CID 82923780
[1-(2-ethylbutyl)piperidin-3-yl]methanol
CID 82931010
2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
CID 63387040
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
3-chloro-1-[(4-ethylphenyl)methyl]piperidine
CID 63386785
1-(2-ethylbutyl)piperidine-3,4-dicarboxylic acid
CID 112568227
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
1-[1-(2-ethylhexyl)piperidin-3-yl]ethanamine
CID 55258928
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-ethylbutyl)piperidine?
The IUPAC name of 3-chloro-1-(2-ethylbutyl)piperidine (CID 82924534) is 3-chloro-1-(2-ethylbutyl)piperidine.
What is the SMILES notation for 3-chloro-1-(2-ethylbutyl)piperidine?
The canonical SMILES for 3-chloro-1-(2-ethylbutyl)piperidine is CCC(CC)CN1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(2-ethylbutyl)piperidine?
The InChIKey is IUIUMRCVGLPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-3-10(4-2)8-13-7-5-6-11(12)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-chloro-1-(2-ethylbutyl)piperidine?
3-chloro-1-(2-ethylbutyl)piperidine has a molecular weight of 203.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-ethylbutyl)piperidine is sourced from PubChem (CID 82924534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).