tert-butyl formate;1-piperidin-2-ylethanol

C12H25NO3 — CID 174623735

IUPACtert-butyl formate;1-piperidin-2-ylethanol
SMILESCC(C)(C)OC=O.CC(O)C1CCCCN1
InChIInChI=1S/C7H15NO.C5H10O2/c1-6(9)7-4-2-3-5-8-7;1-5(2,3)7-4-6/h6-9H,2-5H2,1H3;4H,1-3H3
InChIKeyNNNXWNZUVYGYJU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.47
Rot. Bonds2

About tert-butyl formate;1-piperidin-2-ylethanol

tert-butyl formate;1-piperidin-2-ylethanol (PubChem CID 174623735) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl formate;1-piperidin-2-ylethanol.

Molecular Properties

Compound Nametert-butyl formate;1-piperidin-2-ylethanol
PubChem CID174623735
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl formate;1-piperidin-2-ylethanol
SMILESCC(C)(C)OC=O.CC(O)C1CCCCN1
InChIInChI=1S/C7H15NO.C5H10O2/c1-6(9)7-4-2-3-5-8-7;1-5(2,3)7-4-6/h6-9H,2-5H2,1H3;4H,1-3H3
InChIKeyNNNXWNZUVYGYJU-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl formate;1-piperidin-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-piperidin-2-ylethanol?
The IUPAC name of tert-butyl formate;1-piperidin-2-ylethanol (CID 174623735) is tert-butyl formate;1-piperidin-2-ylethanol.
What is the SMILES notation for tert-butyl formate;1-piperidin-2-ylethanol?
The canonical SMILES for tert-butyl formate;1-piperidin-2-ylethanol is CC(C)(C)OC=O.CC(O)C1CCCCN1.
What is the InChIKey of tert-butyl formate;1-piperidin-2-ylethanol?
The InChIKey is NNNXWNZUVYGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C5H10O2/c1-6(9)7-4-2-3-5-8-7;1-5(2,3)7-4-6/h6-9H,2-5H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-piperidin-2-ylethanol?
tert-butyl formate;1-piperidin-2-ylethanol has a molecular weight of 231.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-piperidin-2-ylethanol is sourced from PubChem (CID 174623735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).