1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride

C18H25ClF3N — CID 3048087

IUPAC1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H24F3N.ClH/c19-18(20,21)16-6-4-5-15(13-16)14-7-9-17(10-8-14)22-11-2-1-3-12-22;/h4-6,13-14,17H,1-3,7-12H2;1H
InChIKeyMXMPKUYCLWUVIM-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.64
Rot. Bonds2

About 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride

1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride (PubChem CID 3048087) has the molecular formula C18H25ClF3N and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride
PubChem CID3048087
Molecular FormulaC18H25ClF3N
Molecular Weight347.85 g/mol
Exact Mass347.16
IUPAC Name1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H24F3N.ClH/c19-18(20,21)16-6-4-5-15(13-16)14-7-9-17(10-8-14)22-11-2-1-3-12-22;/h4-6,13-14,17H,1-3,7-12H2;1H
InChIKeyMXMPKUYCLWUVIM-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride?
The IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride (CID 3048087) is 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride is Cl.FC(F)(F)c1cccc(C2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride?
The InChIKey is MXMPKUYCLWUVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N.ClH/c19-18(20,21)16-6-4-5-15(13-16)14-7-9-17(10-8-14)22-11-2-1-3-12-22;/h4-6,13-14,17H,1-3,7-12H2;1H.
What are the key properties of 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride?
1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperidine;hydrochloride is sourced from PubChem (CID 3048087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).