1-[1-(2-aminoethyl)piperidin-2-yl]ethanol

C9H20N2O — CID 121201750

IUPAC1-[1-(2-aminoethyl)piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1CCN
InChIInChI=1S/C9H20N2O/c1-8(12)9-4-2-3-6-11(9)7-5-10/h8-9,12H,2-7,10H2,1H3
InChIKeyOHYNWLOTTLBZIN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds3

About 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol

1-[1-(2-aminoethyl)piperidin-2-yl]ethanol (PubChem CID 121201750) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)piperidin-2-yl]ethanol
PubChem CID121201750
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[1-(2-aminoethyl)piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1CCN
InChIInChI=1S/C9H20N2O/c1-8(12)9-4-2-3-6-11(9)7-5-10/h8-9,12H,2-7,10H2,1H3
InChIKeyOHYNWLOTTLBZIN-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol (CID 121201750) is 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol is CC(O)C1CCCCN1CCN.
What is the InChIKey of 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol?
The InChIKey is OHYNWLOTTLBZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(12)9-4-2-3-6-11(9)7-5-10/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol?
1-[1-(2-aminoethyl)piperidin-2-yl]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 121201750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).