oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate

C14H25NO3 — CID 58624019

IUPACoxolan-3-yl 4-tert-butylpiperidine-1-carboxylate
SMILESCC(C)(C)C1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)11-4-7-15(8-5-11)13(16)18-12-6-9-17-10-12/h11-12H,4-10H2,1-3H3
InChIKeyURJVXBPHCOHGDY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.67
Rot. Bonds1

About oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate

oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate (PubChem CID 58624019) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-tert-butylpiperidine-1-carboxylate
PubChem CID58624019
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameoxolan-3-yl 4-tert-butylpiperidine-1-carboxylate
SMILESCC(C)(C)C1CCN(C(=O)OC2CCOC2)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)11-4-7-15(8-5-11)13(16)18-12-6-9-17-10-12/h11-12H,4-10H2,1-3H3
InChIKeyURJVXBPHCOHGDY-UHFFFAOYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate?
The IUPAC name of oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate (CID 58624019) is oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate is CC(C)(C)C1CCN(C(=O)OC2CCOC2)CC1.
What is the InChIKey of oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate?
The InChIKey is URJVXBPHCOHGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)11-4-7-15(8-5-11)13(16)18-12-6-9-17-10-12/h11-12H,4-10H2,1-3H3.
What are the key properties of oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate?
oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-tert-butylpiperidine-1-carboxylate is sourced from PubChem (CID 58624019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).