3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol

C12H24ClNO2 — CID 67282001

IUPAC3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(CCOCCCl)CC1
InChIInChI=1S/C12H24ClNO2/c13-5-11-16-10-4-12-2-7-14(8-3-12)6-1-9-15/h12,15H,1-11H2
InChIKeySDZACBUUSKGJEJ-UHFFFAOYSA-N
MW249.78 g/mol
LogP1.73
Rot. Bonds8

About 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol

3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol (PubChem CID 67282001) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol
PubChem CID67282001
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(CCOCCCl)CC1
InChIInChI=1S/C12H24ClNO2/c13-5-11-16-10-4-12-2-7-14(8-3-12)6-1-9-15/h12,15H,1-11H2
InChIKeySDZACBUUSKGJEJ-UHFFFAOYSA-N
XLogP1.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol (CID 67282001) is 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol is OCCCN1CCC(CCOCCCl)CC1.
What is the InChIKey of 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol?
The InChIKey is SDZACBUUSKGJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2/c13-5-11-16-10-4-12-2-7-14(8-3-12)6-1-9-15/h12,15H,1-11H2.
What are the key properties of 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol?
3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol has a molecular weight of 249.78 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 67282001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).