4-methyl-3-(4-propoxyphenyl)piperidine

C15H23NO — CID 66274020

IUPAC4-methyl-3-(4-propoxyphenyl)piperidine
SMILESCCCOc1ccc(C2CNCCC2C)cc1
InChIInChI=1S/C15H23NO/c1-3-10-17-14-6-4-13(5-7-14)15-11-16-9-8-12(15)2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyRHTBOPYQONDIJP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-3-(4-propoxyphenyl)piperidine

4-methyl-3-(4-propoxyphenyl)piperidine (PubChem CID 66274020) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methyl-3-(4-propoxyphenyl)piperidine.

Molecular Properties

Compound Name4-methyl-3-(4-propoxyphenyl)piperidine
PubChem CID66274020
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methyl-3-(4-propoxyphenyl)piperidine
SMILESCCCOc1ccc(C2CNCCC2C)cc1
InChIInChI=1S/C15H23NO/c1-3-10-17-14-6-4-13(5-7-14)15-11-16-9-8-12(15)2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyRHTBOPYQONDIJP-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propoxyphenyl)piperidine?
The IUPAC name of 4-methyl-3-(4-propoxyphenyl)piperidine (CID 66274020) is 4-methyl-3-(4-propoxyphenyl)piperidine.
What is the SMILES notation for 4-methyl-3-(4-propoxyphenyl)piperidine?
The canonical SMILES for 4-methyl-3-(4-propoxyphenyl)piperidine is CCCOc1ccc(C2CNCCC2C)cc1.
What is the InChIKey of 4-methyl-3-(4-propoxyphenyl)piperidine?
The InChIKey is RHTBOPYQONDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-10-17-14-6-4-13(5-7-14)15-11-16-9-8-12(15)2/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of 4-methyl-3-(4-propoxyphenyl)piperidine?
4-methyl-3-(4-propoxyphenyl)piperidine has a molecular weight of 233.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-propoxyphenyl)piperidine is sourced from PubChem (CID 66274020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).