2-[1-(5-chloropentyl)piperidin-2-yl]ethanol

C12H24ClNO — CID 61286702

IUPAC2-[1-(5-chloropentyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCCCCl
InChIInChI=1S/C12H24ClNO/c13-8-3-1-4-9-14-10-5-2-6-12(14)7-11-15/h12,15H,1-11H2
InChIKeyIHNNCYAMZDGLKD-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.63
Rot. Bonds7

About 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol

2-[1-(5-chloropentyl)piperidin-2-yl]ethanol (PubChem CID 61286702) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-chloropentyl)piperidin-2-yl]ethanol
PubChem CID61286702
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-[1-(5-chloropentyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCCCCl
InChIInChI=1S/C12H24ClNO/c13-8-3-1-4-9-14-10-5-2-6-12(14)7-11-15/h12,15H,1-11H2
InChIKeyIHNNCYAMZDGLKD-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol (CID 61286702) is 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol is OCCC1CCCCN1CCCCCCl.
What is the InChIKey of 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol?
The InChIKey is IHNNCYAMZDGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c13-8-3-1-4-9-14-10-5-2-6-12(14)7-11-15/h12,15H,1-11H2.
What are the key properties of 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol?
2-[1-(5-chloropentyl)piperidin-2-yl]ethanol has a molecular weight of 233.78 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloropentyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 61286702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).