[1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate

C12H22FNO2 — CID 10105300

IUPAC[1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate
SMILESCCCC(=O)OCC1CCN(CCF)CC1
InChIInChI=1S/C12H22FNO2/c1-2-3-12(15)16-10-11-4-7-14(8-5-11)9-6-13/h11H,2-10H2,1H3
InChIKeyWAXWSGGZGNCRPO-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.01
Rot. Bonds6

About [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate

[1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate (PubChem CID 10105300) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate.

Molecular Properties

Compound Name[1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate
PubChem CID10105300
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name[1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate
SMILESCCCC(=O)OCC1CCN(CCF)CC1
InChIInChI=1S/C12H22FNO2/c1-2-3-12(15)16-10-11-4-7-14(8-5-11)9-6-13/h11H,2-10H2,1H3
InChIKeyWAXWSGGZGNCRPO-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate 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-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
N-[18F]Fluoroethylpiperidin-4ylmethyl acetate
CID 46172914
[1-(2-Fluoroethyl)piperidin-4-yl]methyl acetate
CID 11820197
Ethyl 4-(piperidin-1-yl)butanoate
CID 14044356
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Piperidinium, 1,1-dimethyl-4-(hydroxymethyl)-, iodide, acetate
CID 3038581
Ethyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 20754609
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate?
The IUPAC name of [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate (CID 10105300) is [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate.
What is the SMILES notation for [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate?
The canonical SMILES for [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate is CCCC(=O)OCC1CCN(CCF)CC1.
What is the InChIKey of [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate?
The InChIKey is WAXWSGGZGNCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-2-3-12(15)16-10-11-4-7-14(8-5-11)9-6-13/h11H,2-10H2,1H3.
What are the key properties of [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate?
[1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate has a molecular weight of 231.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)piperidin-4-yl]methyl butanoate is sourced from PubChem (CID 10105300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).