2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid

C17H32N2O2 — CID 83198549

IUPAC2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
SMILESCCCN1CCC(N2CCCC(C(C)(C)C(=O)O)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-4-9-18-11-7-15(8-12-18)19-10-5-6-14(13-19)17(2,3)16(20)21/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyWTAXTLXNBRKORD-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid (PubChem CID 83198549) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
PubChem CID83198549
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
SMILESCCCN1CCC(N2CCCC(C(C)(C)C(=O)O)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-4-9-18-11-7-15(8-12-18)19-10-5-6-14(13-19)17(2,3)16(20)21/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyWTAXTLXNBRKORD-UHFFFAOYSA-N
XLogP2.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid (CID 83198549) is 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid is CCCN1CCC(N2CCCC(C(C)(C)C(=O)O)C2)CC1.
What is the InChIKey of 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid?
The InChIKey is WTAXTLXNBRKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-9-18-11-7-15(8-12-18)19-10-5-6-14(13-19)17(2,3)16(20)21/h14-15H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).