4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine

C16H25NO — CID 29077906

IUPAC4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14/h3-6,13-14,17H,7-12H2,1-2H3
InChIKeyVMYHNMTZVVPKRV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds5

About 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine

4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 29077906) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID29077906
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14/h3-6,13-14,17H,7-12H2,1-2H3
InChIKeyVMYHNMTZVVPKRV-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine (CID 29077906) is 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine is CC(C)c1ccc(OCCC2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is VMYHNMTZVVPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14/h3-6,13-14,17H,7-12H2,1-2H3.
What are the key properties of 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine?
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 29077906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).