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

C9H20N2O2 — CID 102968945

IUPAC2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol
SMILESCOC1CCCN(CC(N)CO)C1
InChIInChI=1S/C9H20N2O2/c1-13-9-3-2-4-11(6-9)5-8(10)7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyYHQGDGWITIZGFE-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.58
Rot. Bonds4

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

2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol (PubChem CID 102968945) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol
PubChem CID102968945
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol
SMILESCOC1CCCN(CC(N)CO)C1
InChIInChI=1S/C9H20N2O2/c1-13-9-3-2-4-11(6-9)5-8(10)7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyYHQGDGWITIZGFE-UHFFFAOYSA-N
XLogP-0.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol (CID 102968945) is 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol is COC1CCCN(CC(N)CO)C1.
What is the InChIKey of 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol?
The InChIKey is YHQGDGWITIZGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-13-9-3-2-4-11(6-9)5-8(10)7-12/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol?
2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 102968945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).