1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride

C15H21ClF3N — CID 3049034

IUPAC1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCC(C)N1CCCC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C15H20F3N.ClH/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18;/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3;1H
InChIKeySRLGWTWTXWKNFL-UHFFFAOYSA-N
MW307.79 g/mol
LogP4.72
Rot. Bonds2

About 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride

1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 3049034) has the molecular formula C15H21ClF3N and a molecular weight of 307.79 g/mol. Its IUPAC name is 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID3049034
Molecular FormulaC15H21ClF3N
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCC(C)N1CCCC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C15H20F3N.ClH/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18;/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3;1H
InChIKeySRLGWTWTXWKNFL-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 3049034) is 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride is CC(C)N1CCCC(c2cccc(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is SRLGWTWTXWKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N.ClH/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18;/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3;1H.
What are the key properties of 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride has a molecular weight of 307.79 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 3049034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).