3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid

C9H16FNO2 — CID 121200949

IUPAC3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(CF)C1
InChIInChI=1S/C9H16FNO2/c10-6-8-2-1-4-11(7-8)5-3-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyXYOPQQDHNSEHBG-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds4

About 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid

3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid (PubChem CID 121200949) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
PubChem CID121200949
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(CF)C1
InChIInChI=1S/C9H16FNO2/c10-6-8-2-1-4-11(7-8)5-3-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyXYOPQQDHNSEHBG-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232
3-(3-cyclohexylsulfanylpiperidin-1-yl)propanoic acid
CID 84755210
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
CID 82892323
3-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 56906622
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395

Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid (CID 121200949) is 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCCC(CF)C1.
What is the InChIKey of 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid?
The InChIKey is XYOPQQDHNSEHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-6-8-2-1-4-11(7-8)5-3-9(12)13/h8H,1-7H2,(H,12,13).
What are the key properties of 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid?
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 121200949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).