methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate

C15H19ClFNO2 — CID 67462732

IUPACmethyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(F)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-14(19)6-9-18-10-7-15(17,8-11-18)12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3
InChIKeyNOWFSCGXCRJYFG-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.16
Rot. Bonds4

About methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate

methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate (PubChem CID 67462732) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate
PubChem CID67462732
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Namemethyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(F)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-14(19)6-9-18-10-7-15(17,8-11-18)12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3
InChIKeyNOWFSCGXCRJYFG-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4S)-Methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10355644
[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 10493109
Methyl (3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylate
CID 12972671
Methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10015831
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid methyl ester
CID 10333222
Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 10731560
(3R,4S)-4-(4-Chloro-phenyl)-3-(3-fluoro-propyl)-1-methyl-piperidine
CID 11242662
(3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester
CID 12972672
[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetic acid methyl ester
CID 44398283
(E)-3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-acrylic acid methyl ester
CID 11403630
Acetic acid (R)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 44301940
4-(4-Chloro-phenyl)-1-(3-fluoro-propyl)-piperidine-3-carboxylic acid methyl ester
CID 44337768

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate (CID 67462732) is methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate is COC(=O)CCN1CCC(F)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate?
The InChIKey is NOWFSCGXCRJYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-14(19)6-9-18-10-7-15(17,8-11-18)12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3.
What are the key properties of methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate?
methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate has a molecular weight of 299.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]propanoate is sourced from PubChem (CID 67462732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).