2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol

C10H22N2O — CID 130502556

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
SMILESCC(N)C1CCCCN1C(C)CO
InChIInChI=1S/C10H22N2O/c1-8(7-13)12-6-4-3-5-10(12)9(2)11/h8-10,13H,3-7,11H2,1-2H3
InChIKeyOESQCUDEFOMSMF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds3

About 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol

2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol (PubChem CID 130502556) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
PubChem CID130502556
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
SMILESCC(N)C1CCCCN1C(C)CO
InChIInChI=1S/C10H22N2O/c1-8(7-13)12-6-4-3-5-10(12)9(2)11/h8-10,13H,3-7,11H2,1-2H3
InChIKeyOESQCUDEFOMSMF-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol (CID 130502556) is 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol is CC(N)C1CCCCN1C(C)CO.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol?
The InChIKey is OESQCUDEFOMSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(7-13)12-6-4-3-5-10(12)9(2)11/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol?
2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 130502556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).