2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid

C18H26F2N2O3 — CID 122042958

IUPAC2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCc1cc(CN2CCC(N(C)CC(=O)O)CC2)cc(C)c1OC(F)F
InChIInChI=1S/C18H26F2N2O3/c1-12-8-14(9-13(2)17(12)25-18(19)20)10-22-6-4-15(5-7-22)21(3)11-16(23)24/h8-9,15,18H,4-7,10-11H2,1-3H3,(H,23,24)
InChIKeyCWOOTKCGMZUVEB-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.89
Rot. Bonds7

About 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid

2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid (PubChem CID 122042958) has the molecular formula C18H26F2N2O3 and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
PubChem CID122042958
Molecular FormulaC18H26F2N2O3
Molecular Weight356.41 g/mol
Exact Mass356.19
IUPAC Name2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCc1cc(CN2CCC(N(C)CC(=O)O)CC2)cc(C)c1OC(F)F
InChIInChI=1S/C18H26F2N2O3/c1-12-8-14(9-13(2)17(12)25-18(19)20)10-22-6-4-15(5-7-22)21(3)11-16(23)24/h8-9,15,18H,4-7,10-11H2,1-3H3,(H,23,24)
InChIKeyCWOOTKCGMZUVEB-UHFFFAOYSA-N
XLogP2.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid with MolForge

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Related Compounds

2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
2-[[1-[(4-chloro-2,6-dimethylphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043546
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046301
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042922
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
2-[[1-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042957
2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid
CID 138001992

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid (CID 122042958) is 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid is Cc1cc(CN2CCC(N(C)CC(=O)O)CC2)cc(C)c1OC(F)F.
What is the InChIKey of 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
The InChIKey is CWOOTKCGMZUVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3/c1-12-8-14(9-13(2)17(12)25-18(19)20)10-22-6-4-15(5-7-22)21(3)11-16(23)24/h8-9,15,18H,4-7,10-11H2,1-3H3,(H,23,24).
What are the key properties of 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid has a molecular weight of 356.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 122042958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).