1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid

C14H25NO3 — CID 79933599

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
SMILESCC1(C)CC(N2CCC(C(=O)O)CC2)C(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-13(2)9-11(14(3,4)18-13)15-7-5-10(6-8-15)12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeySJVMHGHCCQMPIL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds2

About 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid

1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid (PubChem CID 79933599) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
PubChem CID79933599
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
SMILESCC1(C)CC(N2CCC(C(=O)O)CC2)C(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-13(2)9-11(14(3,4)18-13)15-7-5-10(6-8-15)12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeySJVMHGHCCQMPIL-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969
1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 79863529
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
CID 114624087
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
CID 114621834
1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623874
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide
CID 114621322
4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
CID 79927218
7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79933602
3-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623881
1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 80699258
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid (CID 79933599) is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid is CC1(C)CC(N2CCC(C(=O)O)CC2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid?
The InChIKey is SJVMHGHCCQMPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2)9-11(14(3,4)18-13)15-7-5-10(6-8-15)12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid?
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 79933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).