ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate

C21H31FN2O2 — CID 56917298

IUPACethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H31FN2O2/c1-2-26-21(25)23-14-11-20(12-15-23)24-13-3-4-18(16-24)6-5-17-7-9-19(22)10-8-17/h7-10,18,20H,2-6,11-16H2,1H3
InChIKeyIWVPHLCWUSVJIK-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.09
Rot. Bonds5

About ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 56917298) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID56917298
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Nameethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H31FN2O2/c1-2-26-21(25)23-14-11-20(12-15-23)24-13-3-4-18(16-24)6-5-17-7-9-19(22)10-8-17/h7-10,18,20H,2-6,11-16H2,1H3
InChIKeyIWVPHLCWUSVJIK-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate 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

1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95553032
cyclopropyl-[4-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543541
cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543540
ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
CID 45245692
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
ethyl 4-[3-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45252331
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
ethyl 4-[(3S)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873779
ethyl 4-[(3R)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873657

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate (CID 56917298) is ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCCC(CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is IWVPHLCWUSVJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-2-26-21(25)23-14-11-20(12-15-23)24-13-3-4-18(16-24)6-5-17-7-9-19(22)10-8-17/h7-10,18,20H,2-6,11-16H2,1H3.
What are the key properties of ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 362.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 56917298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).