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

C13H14F3NO — CID 11637455

IUPACpiperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2
InChIKeyIZNSIDSQTFZSQP-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.89
Rot. Bonds2

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

piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 11637455) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID11637455
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Namepiperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2
InChIKeyIZNSIDSQTFZSQP-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone (CID 11637455) is piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is IZNSIDSQTFZSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-4,10,17H,5-8H2.
What are the key properties of piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone?
piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 257.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 11637455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).