4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine

C21H32F3NO — CID 142475238

IUPAC4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine
SMILESCOCCCC1CCN(CCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H32F3NO/c1-20(2,18-6-8-19(9-7-18)21(22,23)24)12-15-25-13-10-17(11-14-25)5-4-16-26-3/h6-9,17H,4-5,10-16H2,1-3H3
InChIKeyOBERBODYOYKWDJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP5.51
Rot. Bonds8

About 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine

4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine (PubChem CID 142475238) has the molecular formula C21H32F3NO and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine.

Molecular Properties

Compound Name4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine
PubChem CID142475238
Molecular FormulaC21H32F3NO
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine
SMILESCOCCCC1CCN(CCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H32F3NO/c1-20(2,18-6-8-19(9-7-18)21(22,23)24)12-15-25-13-10-17(11-14-25)5-4-16-26-3/h6-9,17H,4-5,10-16H2,1-3H3
InChIKeyOBERBODYOYKWDJ-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
The IUPAC name of 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine (CID 142475238) is 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine.
What is the SMILES notation for 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
The canonical SMILES for 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine is COCCCC1CCN(CCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
The InChIKey is OBERBODYOYKWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3NO/c1-20(2,18-6-8-19(9-7-18)21(22,23)24)12-15-25-13-10-17(11-14-25)5-4-16-26-3/h6-9,17H,4-5,10-16H2,1-3H3.
What are the key properties of 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine?
4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine has a molecular weight of 371.49 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine is sourced from PubChem (CID 142475238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).