tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate

C14H25NO3 — CID 22975820

IUPACtert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate
SMILESC=CCCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-5-6-7-14(17)8-10-15(11-9-14)12(16)18-13(2,3)4/h5,17H,1,6-11H2,2-4H3
InChIKeyVUMAMSRWNDXSRV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate (PubChem CID 22975820) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate
PubChem CID22975820
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate
SMILESC=CCCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-5-6-7-14(17)8-10-15(11-9-14)12(16)18-13(2,3)4/h5,17H,1,6-11H2,2-4H3
InChIKeyVUMAMSRWNDXSRV-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate (CID 22975820) is tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate is C=CCCC1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate?
The InChIKey is VUMAMSRWNDXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-7-14(17)8-10-15(11-9-14)12(16)18-13(2,3)4/h5,17H,1,6-11H2,2-4H3.
What are the key properties of tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-but-3-enyl-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 22975820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).