2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid

C13H25FN2O2 — CID 154623203

IUPAC2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CCC(F)CN1C(C)(C)C
InChIInChI=1S/C13H25FN2O2/c1-13(2,3)16-7-10(14)5-6-11(16)8-15(4)9-12(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyRFYAGGOODGKKIJ-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.60
Rot. Bonds4

About 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid

2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid (PubChem CID 154623203) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
PubChem CID154623203
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Name2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CCC(F)CN1C(C)(C)C
InChIInChI=1S/C13H25FN2O2/c1-13(2,3)16-7-10(14)5-6-11(16)8-15(4)9-12(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyRFYAGGOODGKKIJ-UHFFFAOYSA-N
XLogP1.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Cyclopentylpiperazin-1-yl)acetic acid
CID 2758005
2-[(3-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl-methylamino]acetic acid
CID 139341642
2-[(5,5-Difluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 139341669
2-[(5,5-Difluoro-1-propylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 142350448
2-[(5-Fluoro-1-propan-2-ylpiperidin-3-yl)methyl-methylamino]acetic acid
CID 153412199
2-[(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 153412224
2-[(5-Fluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 153412245
2-[(1-Tert-butyl-5-fluoropiperidin-3-yl)methyl-methylamino]acetic acid
CID 162475423
2-[(1-Ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
CID 166828238
2-[2-(1-Methylpiperidin-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258107
2-[2-Piperidin-1-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258190
2-[[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265642

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid (CID 154623203) is 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CCC(F)CN1C(C)(C)C.
What is the InChIKey of 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
The InChIKey is RFYAGGOODGKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-13(2,3)16-7-10(14)5-6-11(16)8-15(4)9-12(17)18/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid has a molecular weight of 260.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 154623203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).