4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid

C10H19NO3 — CID 159694800

IUPAC4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid
SMILESCC(C)OCC1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO3/c1-8(2)14-7-10(9(12)13)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyMWWGZBKBLMKHIZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.87
Rot. Bonds4

About 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid

4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid (PubChem CID 159694800) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid
PubChem CID159694800
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid
SMILESCC(C)OCC1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO3/c1-8(2)14-7-10(9(12)13)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyMWWGZBKBLMKHIZ-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 63140661
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
CID 67624891
4-(2,2-difluoropropyl)azepane-4-carboxylic acid
CID 115032512
4-propan-2-yloxyazepane-4-carboxylic acid
CID 84670130
2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 114042027
3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 114501859
4-(5-hydroxypentyl)piperidine-4-carboxylic acid
CID 79424853
4-benzylpiperidine-4-carboxylic acid
CID 18365178
1-[2-oxo-2-(2-propan-2-yloxyethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 113449940
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172
4-(methoxymethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 120647651

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid (CID 159694800) is 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid is CC(C)OCC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid?
The InChIKey is MWWGZBKBLMKHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)14-7-10(9(12)13)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid?
4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 159694800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).