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

C19H21ClF3NO — CID 117068516

IUPAC4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(CN2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C19H20F3NO.ClH/c20-19(21,22)16-6-4-5-15(13-16)14-23-11-9-18(10-12-23)24-17-7-2-1-3-8-17;/h1-8,13,18H,9-12,14H2;1H
InChIKeyXVSQOZJCKVRWFW-UHFFFAOYSA-N
MW371.83 g/mol
LogP5.17
Rot. Bonds4

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

4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride (PubChem CID 117068516) has the molecular formula C19H21ClF3NO and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
PubChem CID117068516
Molecular FormulaC19H21ClF3NO
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC Name4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(CN2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C19H20F3NO.ClH/c20-19(21,22)16-6-4-5-15(13-16)14-23-11-9-18(10-12-23)24-17-7-2-1-3-8-17;/h1-8,13,18H,9-12,14H2;1H
InChIKeyXVSQOZJCKVRWFW-UHFFFAOYSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.83
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride (CID 117068516) is 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride is Cl.FC(F)(F)c1cccc(CN2CCC(Oc3ccccc3)CC2)c1.
What is the InChIKey of 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride?
The InChIKey is XVSQOZJCKVRWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO.ClH/c20-19(21,22)16-6-4-5-15(13-16)14-23-11-9-18(10-12-23)24-17-7-2-1-3-8-17;/h1-8,13,18H,9-12,14H2;1H.
What are the key properties of 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride?
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride has a molecular weight of 371.83 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 117068516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).