3-(aminomethyl)-1-tert-butylpiperidin-3-ol

C10H22N2O — CID 115017167

IUPAC3-(aminomethyl)-1-tert-butylpiperidin-3-ol
SMILESCC(C)(C)N1CCCC(O)(CN)C1
InChIInChI=1S/C10H22N2O/c1-9(2,3)12-6-4-5-10(13,7-11)8-12/h13H,4-8,11H2,1-3H3
InChIKeyVOCYTFFJVHEMEN-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds1

About 3-(aminomethyl)-1-tert-butylpiperidin-3-ol

3-(aminomethyl)-1-tert-butylpiperidin-3-ol (PubChem CID 115017167) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(aminomethyl)-1-tert-butylpiperidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-tert-butylpiperidin-3-ol
PubChem CID115017167
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(aminomethyl)-1-tert-butylpiperidin-3-ol
SMILESCC(C)(C)N1CCCC(O)(CN)C1
InChIInChI=1S/C10H22N2O/c1-9(2,3)12-6-4-5-10(13,7-11)8-12/h13H,4-8,11H2,1-3H3
InChIKeyVOCYTFFJVHEMEN-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-tert-butylpiperidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-tert-butylpiperidin-3-ol (CID 115017167) is 3-(aminomethyl)-1-tert-butylpiperidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-tert-butylpiperidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-tert-butylpiperidin-3-ol is CC(C)(C)N1CCCC(O)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-1-tert-butylpiperidin-3-ol?
The InChIKey is VOCYTFFJVHEMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2,3)12-6-4-5-10(13,7-11)8-12/h13H,4-8,11H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-tert-butylpiperidin-3-ol?
3-(aminomethyl)-1-tert-butylpiperidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-tert-butylpiperidin-3-ol is sourced from PubChem (CID 115017167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).