2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine

C15H30ClN — CID 55182786

IUPAC2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCCCC1CCCl
InChIInChI=1S/C15H30ClN/c1-3-5-8-14(4-2)13-17-12-7-6-9-15(17)10-11-16/h14-15H,3-13H2,1-2H3
InChIKeyBXVYERCAWCSULR-UHFFFAOYSA-N
MW259.86 g/mol
LogP4.69
Rot. Bonds8

About 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine

2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine (PubChem CID 55182786) has the molecular formula C15H30ClN and a molecular weight of 259.86 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine
PubChem CID55182786
Molecular FormulaC15H30ClN
Molecular Weight259.86 g/mol
Exact Mass259.21
IUPAC Name2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCCCC1CCCl
InChIInChI=1S/C15H30ClN/c1-3-5-8-14(4-2)13-17-12-7-6-9-15(17)10-11-16/h14-15H,3-13H2,1-2H3
InChIKeyBXVYERCAWCSULR-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.86
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine (CID 55182786) is 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine is CCCCC(CC)CN1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine?
The InChIKey is BXVYERCAWCSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN/c1-3-5-8-14(4-2)13-17-12-7-6-9-15(17)10-11-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine?
2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine has a molecular weight of 259.86 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-ethylhexyl)piperidine is sourced from PubChem (CID 55182786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).