4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine

C19H28F3NO — CID 142475158

IUPAC4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine
SMILESCOC1CCN(C(C)CC(C)(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H28F3NO/c1-14(23-11-9-17(24-4)10-12-23)13-18(2,3)15-5-7-16(8-6-15)19(20,21)22/h5-8,14,17H,9-13H2,1-4H3
InChIKeyPNSOMMGNVKNHJJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.87
Rot. Bonds5

About 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine

4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine (PubChem CID 142475158) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine
PubChem CID142475158
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine
SMILESCOC1CCN(C(C)CC(C)(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H28F3NO/c1-14(23-11-9-17(24-4)10-12-23)13-18(2,3)15-5-7-16(8-6-15)19(20,21)22/h5-8,14,17H,9-13H2,1-4H3
InChIKeyPNSOMMGNVKNHJJ-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine?
The IUPAC name of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine (CID 142475158) is 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine is COC1CCN(C(C)CC(C)(C)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine?
The InChIKey is PNSOMMGNVKNHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-14(23-11-9-17(24-4)10-12-23)13-18(2,3)15-5-7-16(8-6-15)19(20,21)22/h5-8,14,17H,9-13H2,1-4H3.
What are the key properties of 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine?
4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine has a molecular weight of 343.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]pentan-2-yl]piperidine is sourced from PubChem (CID 142475158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).