tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate

C12H23NO3 — CID 23282843

IUPACtert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3
InChIKeyYFYSPIRFZKBBAU-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.02
Rot. Bonds1

About tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate (PubChem CID 23282843) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
PubChem CID23282843
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3
InChIKeyYFYSPIRFZKBBAU-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate (CID 23282843) is tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate is CC1(CO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is YFYSPIRFZKBBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 23282843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).