ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate

C13H18FNO2S — CID 50896519

IUPACethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(F)s2)CC1
InChIInChI=1S/C13H18FNO2S/c1-2-17-13(16)10-5-7-15(8-6-10)9-11-3-4-12(14)18-11/h3-4,10H,2,5-9H2,1H3
InChIKeyVWHFPNALNWXKMW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.66
Rot. Bonds4

About ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 50896519) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
PubChem CID50896519
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Nameethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(F)s2)CC1
InChIInChI=1S/C13H18FNO2S/c1-2-17-13(16)10-5-7-15(8-6-10)9-11-3-4-12(14)18-11/h3-4,10H,2,5-9H2,1H3
InChIKeyVWHFPNALNWXKMW-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-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

ethyl 1-[(5-tert-butylthiophen-2-yl)methyl]piperidine-4-carboxylate
CID 58333085
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
CID 1482785
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
ethyl 1-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 2838657
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate (CID 50896519) is ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc(F)s2)CC1.
What is the InChIKey of ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is VWHFPNALNWXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-17-13(16)10-5-7-15(8-6-10)9-11-3-4-12(14)18-11/h3-4,10H,2,5-9H2,1H3.
What are the key properties of ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 50896519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).