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

C13H15ClF3NO — CID 13180276

IUPACpiperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H14F3NO.ClH/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;1H
InChIKeyHCCJUYRHQMAMMX-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.31
Rot. Bonds2

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

piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 13180276) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID13180276
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Namepiperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H14F3NO.ClH/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;1H
InChIKeyHCCJUYRHQMAMMX-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.31
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;hydrochloride?
The IUPAC name of piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 13180276) is piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride is Cl.O=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is HCCJUYRHQMAMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO.ClH/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;1H.
What are the key properties of piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 293.72 g/mol, XLogP of 3.31, 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;hydrochloride is sourced from PubChem (CID 13180276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).