tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate

C11H22N2O3 — CID 42609252

IUPACtert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CO)NC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-5-9(7-14)12-6-8/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyLPFFLZUJBODPOB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.62
Rot. Bonds2

About tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate

tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate (PubChem CID 42609252) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate
PubChem CID42609252
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CO)NC1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-5-9(7-14)12-6-8/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyLPFFLZUJBODPOB-UHFFFAOYSA-N
XLogP0.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate (CID 42609252) is tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCC(CO)NC1.
What is the InChIKey of tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate?
The InChIKey is LPFFLZUJBODPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-8-4-5-9(7-14)12-6-8/h8-9,12,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate?
tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(hydroxymethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 42609252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).