4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine

C19H29ClFNO2 — CID 54372340

IUPAC4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine
SMILESCOc1cc(OC)c(Cl)c(C2C(C)C(CF)NC(C)C2C(C)C)c1
InChIInChI=1S/C19H29ClFNO2/c1-10(2)17-12(4)22-15(9-21)11(3)18(17)14-7-13(23-5)8-16(24-6)19(14)20/h7-8,10-12,15,17-18,22H,9H2,1-6H3
InChIKeyUUBSKACTSOVUBC-UHFFFAOYSA-N
MW357.90 g/mol
LogP4.68
Rot. Bonds5

About 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine

4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine (PubChem CID 54372340) has the molecular formula C19H29ClFNO2 and a molecular weight of 357.90 g/mol. Its IUPAC name is 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine
PubChem CID54372340
Molecular FormulaC19H29ClFNO2
Molecular Weight357.90 g/mol
Exact Mass357.19
IUPAC Name4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine
SMILESCOc1cc(OC)c(Cl)c(C2C(C)C(CF)NC(C)C2C(C)C)c1
InChIInChI=1S/C19H29ClFNO2/c1-10(2)17-12(4)22-15(9-21)11(3)18(17)14-7-13(23-5)8-16(24-6)19(14)20/h7-8,10-12,15,17-18,22H,9H2,1-6H3
InChIKeyUUBSKACTSOVUBC-UHFFFAOYSA-N
XLogP4.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine?
The IUPAC name of 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine (CID 54372340) is 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine.
What is the SMILES notation for 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine?
The canonical SMILES for 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine is COc1cc(OC)c(Cl)c(C2C(C)C(CF)NC(C)C2C(C)C)c1.
What is the InChIKey of 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine?
The InChIKey is UUBSKACTSOVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClFNO2/c1-10(2)17-12(4)22-15(9-21)11(3)18(17)14-7-13(23-5)8-16(24-6)19(14)20/h7-8,10-12,15,17-18,22H,9H2,1-6H3.
What are the key properties of 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine?
4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine has a molecular weight of 357.90 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3,5-dimethoxyphenyl)-2-(fluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine is sourced from PubChem (CID 54372340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).