3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid

C15H27NO5 — CID 67065166

IUPAC3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)C1CN(C(=O)O)CCC1CCCO
InChIInChI=1S/C15H27NO5/c1-15(2,3)10-21-13(18)12-9-16(14(19)20)7-6-11(12)5-4-8-17/h11-12,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyBRVDTIMCFUZVSQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.96
Rot. Bonds5

About 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid

3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid (PubChem CID 67065166) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid
PubChem CID67065166
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)C1CN(C(=O)O)CCC1CCCO
InChIInChI=1S/C15H27NO5/c1-15(2,3)10-21-13(18)12-9-16(14(19)20)7-6-11(12)5-4-8-17/h11-12,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyBRVDTIMCFUZVSQ-UHFFFAOYSA-N
XLogP1.96
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid (CID 67065166) is 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid is CC(C)(C)COC(=O)C1CN(C(=O)O)CCC1CCCO.
What is the InChIKey of 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid?
The InChIKey is BRVDTIMCFUZVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-15(2,3)10-21-13(18)12-9-16(14(19)20)7-6-11(12)5-4-8-17/h11-12,17H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid?
3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid has a molecular weight of 301.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxycarbonyl)-4-(3-hydroxypropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67065166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).