(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride

C15H17ClF3NO — CID 20775596

IUPAC(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
SMILESC[C@H]1CNCC[C@H]1c1ccc(C(F)(F)F)c2ccoc12.Cl
InChIInChI=1S/C15H16F3NO.ClH/c1-9-8-19-6-4-10(9)11-2-3-13(15(16,17)18)12-5-7-20-14(11)12;/h2-3,5,7,9-10,19H,4,6,8H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyVMQJDQHSNLRKQY-BAUSSPIASA-N
MW319.75 g/mol
LogP4.59
Rot. Bonds1

About (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride

(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride (PubChem CID 20775596) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
PubChem CID20775596
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC Name(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
SMILESC[C@H]1CNCC[C@H]1c1ccc(C(F)(F)F)c2ccoc12.Cl
InChIInChI=1S/C15H16F3NO.ClH/c1-9-8-19-6-4-10(9)11-2-3-13(15(16,17)18)12-5-7-20-14(11)12;/h2-3,5,7,9-10,19H,4,6,8H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyVMQJDQHSNLRKQY-BAUSSPIASA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride?
The IUPAC name of (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride (CID 20775596) is (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride?
The canonical SMILES for (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride is C[C@H]1CNCC[C@H]1c1ccc(C(F)(F)F)c2ccoc12.Cl.
What is the InChIKey of (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride?
The InChIKey is VMQJDQHSNLRKQY-BAUSSPIASA-N. The full InChI is InChI=1S/C15H16F3NO.ClH/c1-9-8-19-6-4-10(9)11-2-3-13(15(16,17)18)12-5-7-20-14(11)12;/h2-3,5,7,9-10,19H,4,6,8H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride?
(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride has a molecular weight of 319.75 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride is sourced from PubChem (CID 20775596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).