3-(aminomethyl)-1,3-dimethylpiperidin-4-ol

C8H18N2O — CID 18685094

IUPAC3-(aminomethyl)-1,3-dimethylpiperidin-4-ol
SMILESCN1CCC(O)C(C)(CN)C1
InChIInChI=1S/C8H18N2O/c1-8(5-9)6-10(2)4-3-7(8)11/h7,11H,3-6,9H2,1-2H3
InChIKeyUQVGIKBFJMLKSS-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.35
Rot. Bonds1

About 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol

3-(aminomethyl)-1,3-dimethylpiperidin-4-ol (PubChem CID 18685094) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1,3-dimethylpiperidin-4-ol
PubChem CID18685094
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(aminomethyl)-1,3-dimethylpiperidin-4-ol
SMILESCN1CCC(O)C(C)(CN)C1
InChIInChI=1S/C8H18N2O/c1-8(5-9)6-10(2)4-3-7(8)11/h7,11H,3-6,9H2,1-2H3
InChIKeyUQVGIKBFJMLKSS-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol?
The IUPAC name of 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol (CID 18685094) is 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol?
The canonical SMILES for 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol is CN1CCC(O)C(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol?
The InChIKey is UQVGIKBFJMLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(5-9)6-10(2)4-3-7(8)11/h7,11H,3-6,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol?
3-(aminomethyl)-1,3-dimethylpiperidin-4-ol has a molecular weight of 158.24 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 18685094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).