1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine

C16H22F3N — CID 170587450

IUPAC1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCC(C)c1cc(CN2CCCCC2)ccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-12(2)14-10-13(6-7-15(14)16(17,18)19)11-20-8-4-3-5-9-20/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeySSKFGJLLPTVNHN-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.81
Rot. Bonds3

About 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine

1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 170587450) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID170587450
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCC(C)c1cc(CN2CCCCC2)ccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-12(2)14-10-13(6-7-15(14)16(17,18)19)11-20-8-4-3-5-9-20/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeySSKFGJLLPTVNHN-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
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5-(azepan-1-ylmethyl)-2-propan-2-yl-1,3-dihydroisoindole
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1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
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1-[(4-propan-2-ylphenyl)methyl]azetidine
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Frequently Asked Questions

What is the IUPAC name of 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine (CID 170587450) is 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine is CC(C)c1cc(CN2CCCCC2)ccc1C(F)(F)F.
What is the InChIKey of 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is SSKFGJLLPTVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-12(2)14-10-13(6-7-15(14)16(17,18)19)11-20-8-4-3-5-9-20/h6-7,10,12H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine?
1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 285.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 170587450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).