1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol

C11H24N2O — CID 106835618

IUPAC1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol
SMILESCCC(CN)N1CCC(C(C)O)CC1
InChIInChI=1S/C11H24N2O/c1-3-11(8-12)13-6-4-10(5-7-13)9(2)14/h9-11,14H,3-8,12H2,1-2H3
InChIKeyVBSDRUDCASRCKG-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds4

About 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol

1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol (PubChem CID 106835618) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol
PubChem CID106835618
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol
SMILESCCC(CN)N1CCC(C(C)O)CC1
InChIInChI=1S/C11H24N2O/c1-3-11(8-12)13-6-4-10(5-7-13)9(2)14/h9-11,14H,3-8,12H2,1-2H3
InChIKeyVBSDRUDCASRCKG-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol (CID 106835618) is 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol is CCC(CN)N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol?
The InChIKey is VBSDRUDCASRCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-11(8-12)13-6-4-10(5-7-13)9(2)14/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol?
1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106835618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).