2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine

C17H18F3N — CID 106778526

IUPAC2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H18F3N/c18-17(19,20)14-8-9-21-15(11-14)10-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,14-15,21H,8-11H2
InChIKeyOLQFUZPWNPBWLC-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.31
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine

2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine (PubChem CID 106778526) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine
PubChem CID106778526
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H18F3N/c18-17(19,20)14-8-9-21-15(11-14)10-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,14-15,21H,8-11H2
InChIKeyOLQFUZPWNPBWLC-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-(Naphthalen-2-yl)ethyl)piperazine
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CID 9834302
CID 9834302
n-Methyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 53319832
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10060088
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3-(Naphthalen-1-yl)pyrrolidine
CID 10584082

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine (CID 106778526) is 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCNC(Cc2cccc3ccccc23)C1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is OLQFUZPWNPBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c18-17(19,20)14-8-9-21-15(11-14)10-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,14-15,21H,8-11H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine?
2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 293.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).