ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide

C9H17BrFNO2 — CID 134280659

IUPACethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide
SMILESBr.CCOC(=O)C[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H16FNO2.BrH/c1-2-13-9(12)5-7-3-4-11-6-8(7)10;/h7-8,11H,2-6H2,1H3;1H/t7-,8-;/m0./s1
InChIKeyLVNFKIGATMPQOQ-WSZWBAFRSA-N
MW270.14 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide

ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide (PubChem CID 134280659) has the molecular formula C9H17BrFNO2 and a molecular weight of 270.14 g/mol. Its IUPAC name is ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide
PubChem CID134280659
Molecular FormulaC9H17BrFNO2
Molecular Weight270.14 g/mol
Exact Mass269.04
IUPAC Nameethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide
SMILESBr.CCOC(=O)C[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H16FNO2.BrH/c1-2-13-9(12)5-7-3-4-11-6-8(7)10;/h7-8,11H,2-6H2,1H3;1H/t7-,8-;/m0./s1
InChIKeyLVNFKIGATMPQOQ-WSZWBAFRSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide 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 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
CID 174843996
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 2-[(3R,4S)-3-ethyl-2-oxopiperidin-4-yl]acetate
CID 131843994
[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid
CID 69415587
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
(3-fluoropiperidin-4-yl) butanoate
CID 174445737

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide?
The IUPAC name of ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide (CID 134280659) is ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide.
What is the SMILES notation for ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide?
The canonical SMILES for ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide is Br.CCOC(=O)C[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide?
The InChIKey is LVNFKIGATMPQOQ-WSZWBAFRSA-N. The full InChI is InChI=1S/C9H16FNO2.BrH/c1-2-13-9(12)5-7-3-4-11-6-8(7)10;/h7-8,11H,2-6H2,1H3;1H/t7-,8-;/m0./s1.
What are the key properties of ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide?
ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide has a molecular weight of 270.14 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide is sourced from PubChem (CID 134280659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).