2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid

C10H18FNO2 — CID 81113634

IUPAC2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CCCF
InChIInChI=1S/C10H18FNO2/c11-5-3-7-12-6-2-1-4-9(12)8-10(13)14/h9H,1-8H2,(H,13,14)
InChIKeyZCCLVUGHBAMVJU-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.68
Rot. Bonds5

About 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid

2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid (PubChem CID 81113634) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
PubChem CID81113634
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CCCF
InChIInChI=1S/C10H18FNO2/c11-5-3-7-12-6-2-1-4-9(12)8-10(13)14/h9H,1-8H2,(H,13,14)
InChIKeyZCCLVUGHBAMVJU-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
2-[1-(3-fluoropropyl)piperidin-2-yl]ethanol
CID 81113088
2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid
CID 81113762
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid
CID 61010421
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-2-yl]acetic acid
CID 62325216
2-[1-(2-propoxyethyl)piperidin-2-yl]acetic acid
CID 106454638
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid
CID 61371702
4-(2-aminopiperidin-1-yl)butanoic acid
CID 77220070

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid (CID 81113634) is 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1CCCF.
What is the InChIKey of 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid?
The InChIKey is ZCCLVUGHBAMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-5-3-7-12-6-2-1-4-9(12)8-10(13)14/h9H,1-8H2,(H,13,14).
What are the key properties of 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid?
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid has a molecular weight of 203.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 81113634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).