ethyl 4-fluoropiperidine-4-carboxylate

C8H14FNO2 — CID 22313457

IUPACethyl 4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCNCC1
InChIInChI=1S/C8H14FNO2/c1-2-12-7(11)8(9)3-5-10-6-4-8/h10H,2-6H2,1H3
InChIKeyIRHZQIJIMBFMKC-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.64
Rot. Bonds2

About ethyl 4-fluoropiperidine-4-carboxylate

ethyl 4-fluoropiperidine-4-carboxylate (PubChem CID 22313457) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is ethyl 4-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoropiperidine-4-carboxylate
PubChem CID22313457
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Nameethyl 4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCNCC1
InChIInChI=1S/C8H14FNO2/c1-2-12-7(11)8(9)3-5-10-6-4-8/h10H,2-6H2,1H3
InChIKeyIRHZQIJIMBFMKC-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-fluoropiperidine-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 4-piperidinecarboxylate
CID 70770
Methyl isonipecotate
CID 424914
Tert-butyl Piperidine-4-carboxylate
CID 1512676
Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Ethyl 4-cyanopiperidine-4-carboxylate
CID 14294359
4-Piperidinylmethyl acetate hydrochloride
CID 53410152
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
Ethyl 4-(trifluoromethyl)piperidine-4-carboxylate
CID 66977112
Methyl 3-fluoropiperidine-4-carboxylate hydrochloride
CID 84720949
Propan-2-yl piperidine-4-carboxylate hydrochloride
CID 118918433
Tert-butyl 3,3-difluoropiperidine-4-carboxylate
CID 122236559

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoropiperidine-4-carboxylate?
The IUPAC name of ethyl 4-fluoropiperidine-4-carboxylate (CID 22313457) is ethyl 4-fluoropiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-fluoropiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-fluoropiperidine-4-carboxylate is CCOC(=O)C1(F)CCNCC1.
What is the InChIKey of ethyl 4-fluoropiperidine-4-carboxylate?
The InChIKey is IRHZQIJIMBFMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-2-12-7(11)8(9)3-5-10-6-4-8/h10H,2-6H2,1H3.
What are the key properties of ethyl 4-fluoropiperidine-4-carboxylate?
ethyl 4-fluoropiperidine-4-carboxylate has a molecular weight of 175.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 22313457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).