4-(3-chlorophenoxy)piperidine

C11H14ClNO — CID 2735317

IUPAC4-(3-chlorophenoxy)piperidine
SMILESClc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C11H14ClNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
InChIKeyBYXWGMQMUJCYPK-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.47
Rot. Bonds2

About 4-(3-chlorophenoxy)piperidine

4-(3-chlorophenoxy)piperidine (PubChem CID 2735317) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)piperidine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)piperidine
PubChem CID2735317
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-(3-chlorophenoxy)piperidine
SMILESClc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C11H14ClNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
InChIKeyBYXWGMQMUJCYPK-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 4-(3-chlorophenoxy)piperidine?
The IUPAC name of 4-(3-chlorophenoxy)piperidine (CID 2735317) is 4-(3-chlorophenoxy)piperidine.
What is the SMILES notation for 4-(3-chlorophenoxy)piperidine?
The canonical SMILES for 4-(3-chlorophenoxy)piperidine is Clc1cccc(OC2CCNCC2)c1.
What is the InChIKey of 4-(3-chlorophenoxy)piperidine?
The InChIKey is BYXWGMQMUJCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2.
What are the key properties of 4-(3-chlorophenoxy)piperidine?
4-(3-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 4-(3-chlorophenoxy)piperidine is sourced from PubChem (CID 2735317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).