3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol

C11H24N2O2 — CID 102965675

IUPAC3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCCC(OC)C1
InChIInChI=1S/C11H24N2O2/c1-3-10(12)11(8-14)13-6-4-5-9(7-13)15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyBHWBGBBCUUHKHH-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.20
Rot. Bonds5

About 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol

3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol (PubChem CID 102965675) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol
PubChem CID102965675
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCCC(OC)C1
InChIInChI=1S/C11H24N2O2/c1-3-10(12)11(8-14)13-6-4-5-9(7-13)15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyBHWBGBBCUUHKHH-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol (CID 102965675) is 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol is CCC(N)C(CO)N1CCCC(OC)C1.
What is the InChIKey of 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol?
The InChIKey is BHWBGBBCUUHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-10(12)11(8-14)13-6-4-5-9(7-13)15-2/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol?
3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol is sourced from PubChem (CID 102965675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).