1-(2-chloro-5-methylphenoxy)piperidine

C12H16ClNO — CID 90872354

IUPAC1-(2-chloro-5-methylphenoxy)piperidine
SMILESCc1ccc(Cl)c(ON2CCCCC2)c1
InChIInChI=1S/C12H16ClNO/c1-10-5-6-11(13)12(9-10)15-14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyCQVAPXWSRMUKIY-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.43
Rot. Bonds2

About 1-(2-chloro-5-methylphenoxy)piperidine

1-(2-chloro-5-methylphenoxy)piperidine (PubChem CID 90872354) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenoxy)piperidine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenoxy)piperidine
PubChem CID90872354
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(2-chloro-5-methylphenoxy)piperidine
SMILESCc1ccc(Cl)c(ON2CCCCC2)c1
InChIInChI=1S/C12H16ClNO/c1-10-5-6-11(13)12(9-10)15-14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyCQVAPXWSRMUKIY-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenoxy)piperidine?
The IUPAC name of 1-(2-chloro-5-methylphenoxy)piperidine (CID 90872354) is 1-(2-chloro-5-methylphenoxy)piperidine.
What is the SMILES notation for 1-(2-chloro-5-methylphenoxy)piperidine?
The canonical SMILES for 1-(2-chloro-5-methylphenoxy)piperidine is Cc1ccc(Cl)c(ON2CCCCC2)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenoxy)piperidine?
The InChIKey is CQVAPXWSRMUKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10-5-6-11(13)12(9-10)15-14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-chloro-5-methylphenoxy)piperidine?
1-(2-chloro-5-methylphenoxy)piperidine has a molecular weight of 225.72 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenoxy)piperidine is sourced from PubChem (CID 90872354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).