1-(4-chlorophenyl)-4-ethoxypiperidine

C13H18ClNO — CID 66584006

IUPAC1-(4-chlorophenyl)-4-ethoxypiperidine
SMILESCCOC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO/c1-2-16-13-7-9-15(10-8-13)12-5-3-11(14)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyIVNSJYSREFMNGX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-chlorophenyl)-4-ethoxypiperidine

1-(4-chlorophenyl)-4-ethoxypiperidine (PubChem CID 66584006) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-ethoxypiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-ethoxypiperidine
PubChem CID66584006
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chlorophenyl)-4-ethoxypiperidine
SMILESCCOC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO/c1-2-16-13-7-9-15(10-8-13)12-5-3-11(14)4-6-12/h3-6,13H,2,7-10H2,1H3
InChIKeyIVNSJYSREFMNGX-UHFFFAOYSA-N
XLogP3.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-ethoxypiperidine?
The IUPAC name of 1-(4-chlorophenyl)-4-ethoxypiperidine (CID 66584006) is 1-(4-chlorophenyl)-4-ethoxypiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-ethoxypiperidine?
The canonical SMILES for 1-(4-chlorophenyl)-4-ethoxypiperidine is CCOC1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-ethoxypiperidine?
The InChIKey is IVNSJYSREFMNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-16-13-7-9-15(10-8-13)12-5-3-11(14)4-6-12/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-ethoxypiperidine?
1-(4-chlorophenyl)-4-ethoxypiperidine has a molecular weight of 239.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-ethoxypiperidine is sourced from PubChem (CID 66584006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).