1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine

C28H36F3NO — CID 126675326

IUPAC1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine
SMILESCCCC1CCN(Cc2ccc(-c3ccc(COC4CCCC4)c(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C28H36F3NO/c1-2-5-21-14-16-32(17-15-21)19-22-8-10-23(11-9-22)24-12-13-25(27(18-24)28(29,30)31)20-33-26-6-3-4-7-26/h8-13,18,21,26H,2-7,14-17,19-20H2,1H3
InChIKeyCVYOSNUYEAPEEO-UHFFFAOYSA-N
MW459.60 g/mol
LogP7.84
Rot. Bonds8

About 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine

1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine (PubChem CID 126675326) has the molecular formula C28H36F3NO and a molecular weight of 459.60 g/mol. Its IUPAC name is 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine
PubChem CID126675326
Molecular FormulaC28H36F3NO
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine
SMILESCCCC1CCN(Cc2ccc(-c3ccc(COC4CCCC4)c(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C28H36F3NO/c1-2-5-21-14-16-32(17-15-21)19-22-8-10-23(11-9-22)24-12-13-25(27(18-24)28(29,30)31)20-33-26-6-3-4-7-26/h8-13,18,21,26H,2-7,14-17,19-20H2,1H3
InChIKeyCVYOSNUYEAPEEO-UHFFFAOYSA-N
XLogP7.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.60
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine?
The IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine (CID 126675326) is 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine.
What is the SMILES notation for 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine?
The canonical SMILES for 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine is CCCC1CCN(Cc2ccc(-c3ccc(COC4CCCC4)c(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine?
The InChIKey is CVYOSNUYEAPEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F3NO/c1-2-5-21-14-16-32(17-15-21)19-22-8-10-23(11-9-22)24-12-13-25(27(18-24)28(29,30)31)20-33-26-6-3-4-7-26/h8-13,18,21,26H,2-7,14-17,19-20H2,1H3.
What are the key properties of 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine?
1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine has a molecular weight of 459.60 g/mol, XLogP of 7.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine is sourced from PubChem (CID 126675326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).