3-phenyl-4-(4-propylphenoxy)piperidine

C20H25NO — CID 91184219

IUPAC3-phenyl-4-(4-propylphenoxy)piperidine
SMILESCCCc1ccc(OC2CCNCC2c2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-16-9-11-18(12-10-16)22-20-13-14-21-15-19(20)17-7-4-3-5-8-17/h3-5,7-12,19-21H,2,6,13-15H2,1H3
InChIKeyAHQBKJGNDZJMAZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.16
Rot. Bonds5

About 3-phenyl-4-(4-propylphenoxy)piperidine

3-phenyl-4-(4-propylphenoxy)piperidine (PubChem CID 91184219) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-phenyl-4-(4-propylphenoxy)piperidine.

Molecular Properties

Compound Name3-phenyl-4-(4-propylphenoxy)piperidine
PubChem CID91184219
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-phenyl-4-(4-propylphenoxy)piperidine
SMILESCCCc1ccc(OC2CCNCC2c2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-16-9-11-18(12-10-16)22-20-13-14-21-15-19(20)17-7-4-3-5-8-17/h3-5,7-12,19-21H,2,6,13-15H2,1H3
InChIKeyAHQBKJGNDZJMAZ-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(4-propylphenoxy)piperidine?
The IUPAC name of 3-phenyl-4-(4-propylphenoxy)piperidine (CID 91184219) is 3-phenyl-4-(4-propylphenoxy)piperidine.
What is the SMILES notation for 3-phenyl-4-(4-propylphenoxy)piperidine?
The canonical SMILES for 3-phenyl-4-(4-propylphenoxy)piperidine is CCCc1ccc(OC2CCNCC2c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-4-(4-propylphenoxy)piperidine?
The InChIKey is AHQBKJGNDZJMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-6-16-9-11-18(12-10-16)22-20-13-14-21-15-19(20)17-7-4-3-5-8-17/h3-5,7-12,19-21H,2,6,13-15H2,1H3.
What are the key properties of 3-phenyl-4-(4-propylphenoxy)piperidine?
3-phenyl-4-(4-propylphenoxy)piperidine has a molecular weight of 295.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(4-propylphenoxy)piperidine is sourced from PubChem (CID 91184219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).