tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate

C16H24N2O4 — CID 22473218

IUPACtert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccc(CO)cn2)CC1
InChIInChI=1S/C16H24N2O4/c1-15(2,3)22-14(20)18-8-6-16(21,7-9-18)13-5-4-12(11-19)10-17-13/h4-5,10,19,21H,6-9,11H2,1-3H3
InChIKeyBJRVORWFAUIVQE-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.79
Rot. Bonds2

About tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 22473218) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate
PubChem CID22473218
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccc(CO)cn2)CC1
InChIInChI=1S/C16H24N2O4/c1-15(2,3)22-14(20)18-8-6-16(21,7-9-18)13-5-4-12(11-19)10-17-13/h4-5,10,19,21H,6-9,11H2,1-3H3
InChIKeyBJRVORWFAUIVQE-UHFFFAOYSA-N
XLogP1.79
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate 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 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate (CID 22473218) is tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2ccc(CO)cn2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is BJRVORWFAUIVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-15(2,3)22-14(20)18-8-6-16(21,7-9-18)13-5-4-12(11-19)10-17-13/h4-5,10,19,21H,6-9,11H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[5-(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 22473218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).