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

C11H21FN2O2 — CID 106814141

IUPAC2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(CCCF)C1
InChIInChI=1S/C11H21FN2O2/c12-4-2-6-14-5-1-3-10(9-14)7-13-8-11(15)16/h10,13H,1-9H2,(H,15,16)
InChIKeyIRVUHORHSDKRJT-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.73
Rot. Bonds7

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

2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814141) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814141
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(CCCF)C1
InChIInChI=1S/C11H21FN2O2/c12-4-2-6-14-5-1-3-10(9-14)7-13-8-11(15)16/h10,13H,1-9H2,(H,15,16)
InChIKeyIRVUHORHSDKRJT-UHFFFAOYSA-N
XLogP0.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid (CID 106814141) is 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(CCCF)C1.
What is the InChIKey of 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is IRVUHORHSDKRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c12-4-2-6-14-5-1-3-10(9-14)7-13-8-11(15)16/h10,13H,1-9H2,(H,15,16).
What are the key properties of 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 232.30 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluoropropyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).