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

C13H17ClF3N — CID 3049032

IUPAC1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCN1CCCC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C13H16F3N.ClH/c1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;/h2,4,6,8,11H,3,5,7,9H2,1H3;1H
InChIKeyOLAXMKMQCSWQTF-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.94
Rot. Bonds1

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

1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 3049032) has the molecular formula C13H17ClF3N and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID3049032
Molecular FormulaC13H17ClF3N
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCN1CCCC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C13H16F3N.ClH/c1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;/h2,4,6,8,11H,3,5,7,9H2,1H3;1H
InChIKeyOLAXMKMQCSWQTF-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 3049032) is 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride is CN1CCCC(c2cccc(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is OLAXMKMQCSWQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N.ClH/c1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;/h2,4,6,8,11H,3,5,7,9H2,1H3;1H.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride has a molecular weight of 279.73 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 3049032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).