1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid

C11H14FNO2S — CID 50896517

IUPAC1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(F)s2)CC1
InChIInChI=1S/C11H14FNO2S/c12-10-2-1-9(16-10)7-13-5-3-8(4-6-13)11(14)15/h1-2,8H,3-7H2,(H,14,15)
InChIKeyDVHZJJKPKBPDKK-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.18
Rot. Bonds3

About 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid

1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 50896517) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID50896517
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(F)s2)CC1
InChIInChI=1S/C11H14FNO2S/c12-10-2-1-9(16-10)7-13-5-3-8(4-6-13)11(14)15/h1-2,8H,3-7H2,(H,14,15)
InChIKeyDVHZJJKPKBPDKK-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
CID 50896519
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
tert-butyl N-[1-[(5-fluorothiophen-2-yl)methyl]piperidin-4-yl]carbamate
CID 50896527
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906674
1-[[5-(4-bromophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036365
1-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 102845084
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036269
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63378027
1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 48542178
1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 65056412
1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
1-[(4-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907180

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid (CID 50896517) is 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccc(F)s2)CC1.
What is the InChIKey of 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is DVHZJJKPKBPDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-10-2-1-9(16-10)7-13-5-3-8(4-6-13)11(14)15/h1-2,8H,3-7H2,(H,14,15).
What are the key properties of 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid?
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 50896517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).