2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid

C9H16FNO2 — CID 105443609

IUPAC2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
SMILESCCN1CCCC(C(F)C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-2-11-5-3-4-7(6-11)8(10)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyAOMJNOSBPRGVKQ-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds3

About 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid

2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid (PubChem CID 105443609) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
PubChem CID105443609
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
SMILESCCN1CCCC(C(F)C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-2-11-5-3-4-7(6-11)8(10)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyAOMJNOSBPRGVKQ-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
2-amino-2-(1-ethylazepan-4-yl)acetic acid
CID 84669559
3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
CID 43308794
2-[3-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215404
3-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-hydroxypropanamide
CID 114153668
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
CID 105460001
2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid
CID 83982898
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
CID 43744846
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid (CID 105443609) is 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid is CCN1CCCC(C(F)C(=O)O)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid?
The InChIKey is AOMJNOSBPRGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-11-5-3-4-7(6-11)8(10)9(12)13/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid?
2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 105443609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).