2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid

C18H34N2O5 — CID 66594029

IUPAC2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid
SMILESCC(C)COC(=O)N1CCCCC1CCO.O=C(O)N1CCCCC1
InChIInChI=1S/C12H23NO3.C6H11NO2/c1-10(2)9-16-12(15)13-7-4-3-5-11(13)6-8-14;8-6(9)7-4-2-1-3-5-7/h10-11,14H,3-9H2,1-2H3;1-5H2,(H,8,9)
InChIKeyOPBKDZCEBNGFRH-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.17
Rot. Bonds4

About 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid

2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid (PubChem CID 66594029) has the molecular formula C18H34N2O5 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid
PubChem CID66594029
Molecular FormulaC18H34N2O5
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Name2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid
SMILESCC(C)COC(=O)N1CCCCC1CCO.O=C(O)N1CCCCC1
InChIInChI=1S/C12H23NO3.C6H11NO2/c1-10(2)9-16-12(15)13-7-4-3-5-11(13)6-8-14;8-6(9)7-4-2-1-3-5-7/h10-11,14H,3-9H2,1-2H3;1-5H2,(H,8,9)
InChIKeyOPBKDZCEBNGFRH-UHFFFAOYSA-N
XLogP3.17
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid?
The IUPAC name of 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid (CID 66594029) is 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid.
What is the SMILES notation for 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid?
The canonical SMILES for 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid is CC(C)COC(=O)N1CCCCC1CCO.O=C(O)N1CCCCC1.
What is the InChIKey of 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid?
The InChIKey is OPBKDZCEBNGFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.C6H11NO2/c1-10(2)9-16-12(15)13-7-4-3-5-11(13)6-8-14;8-6(9)7-4-2-1-3-5-7/h10-11,14H,3-9H2,1-2H3;1-5H2,(H,8,9).
What are the key properties of 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid?
2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid has a molecular weight of 358.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;piperidine-1-carboxylic acid is sourced from PubChem (CID 66594029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).