3-(4-chlorophenoxy)piperidine

C11H14ClNO — CID 3865138

IUPAC3-(4-chlorophenoxy)piperidine
SMILESClc1ccc(OC2CCCNC2)cc1
InChIInChI=1S/C11H14ClNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h3-6,11,13H,1-2,7-8H2
InChIKeyOXELOOCWZRBKSV-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.47
Rot. Bonds2

About 3-(4-chlorophenoxy)piperidine

3-(4-chlorophenoxy)piperidine (PubChem CID 3865138) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)piperidine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)piperidine
PubChem CID3865138
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-(4-chlorophenoxy)piperidine
SMILESClc1ccc(OC2CCCNC2)cc1
InChIInChI=1S/C11H14ClNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h3-6,11,13H,1-2,7-8H2
InChIKeyOXELOOCWZRBKSV-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)piperidine?
The IUPAC name of 3-(4-chlorophenoxy)piperidine (CID 3865138) is 3-(4-chlorophenoxy)piperidine.
What is the SMILES notation for 3-(4-chlorophenoxy)piperidine?
The canonical SMILES for 3-(4-chlorophenoxy)piperidine is Clc1ccc(OC2CCCNC2)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)piperidine?
The InChIKey is OXELOOCWZRBKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h3-6,11,13H,1-2,7-8H2.
What are the key properties of 3-(4-chlorophenoxy)piperidine?
3-(4-chlorophenoxy)piperidine has a molecular weight of 211.69 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)piperidine is sourced from PubChem (CID 3865138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).