2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate

C11H19F2NO2 — CID 171479012

IUPAC2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate
SMILESCC1(C(=O)OCCF)CCCN(CCF)C1
InChIInChI=1S/C11H19F2NO2/c1-11(10(15)16-8-5-13)3-2-6-14(9-11)7-4-12/h2-9H2,1H3
InChIKeyOOBGUJXZSQGQQS-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.57
Rot. Bonds5

About 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate

2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate (PubChem CID 171479012) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate
PubChem CID171479012
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate
SMILESCC1(C(=O)OCCF)CCCN(CCF)C1
InChIInChI=1S/C11H19F2NO2/c1-11(10(15)16-8-5-13)3-2-6-14(9-11)7-4-12/h2-9H2,1H3
InChIKeyOOBGUJXZSQGQQS-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-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-methylpiperidine-3-carboxylate
CID 97981
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Methyl N-methylnipecotate methobromide
CID 9881457
Valeric acid, 2,2-dimethyl-, 3-piperidinopropyl ester, hydrochloride
CID 217269
Piperidinium, 1-ethyl-3-(methoxycarbonyl)-1-methyl-, bromide
CID 3048291
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
Methyl 1-methyl-3-piperidinecarboxylate methobromide
CID 126959672
Ethyl 1-ethylpiperidine-3-carboxylate
CID 13905176
3-(Ethoxycarbonyl)-1,1-dimethylpiperidinium iodide
CID 86652334
Ethyl 1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
CID 19622900
Ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate
CID 67986560
Methyl 1-methyl-4-(trifluoromethyl)piperidine-3-carboxylate
CID 105482767

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate?
The IUPAC name of 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate (CID 171479012) is 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate?
The canonical SMILES for 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate is CC1(C(=O)OCCF)CCCN(CCF)C1.
What is the InChIKey of 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate?
The InChIKey is OOBGUJXZSQGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-11(10(15)16-8-5-13)3-2-6-14(9-11)7-4-12/h2-9H2,1H3.
What are the key properties of 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate?
2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate has a molecular weight of 235.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 1-(2-fluoroethyl)-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 171479012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).