piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone

C13H14F3NO — CID 620616

IUPACpiperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-6-4-10(5-7-11)12(18)17-8-2-1-3-9-17/h4-7H,1-3,8-9H2
InChIKeyZZSDOSQRNQXQJJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.33
Rot. Bonds1

About piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone

piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 620616) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID620616
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Namepiperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-6-4-10(5-7-11)12(18)17-8-2-1-3-9-17/h4-7H,1-3,8-9H2
InChIKeyZZSDOSQRNQXQJJ-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N'-dibenzoylpiperazine
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N,N-Dibenzylbenzamide
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CID 762654
N-Benzoylbenzylamine
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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone (CID 620616) is piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZZSDOSQRNQXQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)11-6-4-10(5-7-11)12(18)17-8-2-1-3-9-17/h4-7H,1-3,8-9H2.
What are the key properties of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone?
piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 257.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 620616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).