1-butyl-4-(furan-2-yl)piperidin-4-ol

C13H21NO2 — CID 3048582

IUPAC1-butyl-4-(furan-2-yl)piperidin-4-ol
SMILESCCCCN1CCC(O)(c2ccco2)CC1
InChIInChI=1S/C13H21NO2/c1-2-3-8-14-9-6-13(15,7-10-14)12-5-4-11-16-12/h4-5,11,15H,2-3,6-10H2,1H3
InChIKeyIIIIQHADHUCHQB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.36
Rot. Bonds4

About 1-butyl-4-(furan-2-yl)piperidin-4-ol

1-butyl-4-(furan-2-yl)piperidin-4-ol (PubChem CID 3048582) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-butyl-4-(furan-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-butyl-4-(furan-2-yl)piperidin-4-ol
PubChem CID3048582
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-butyl-4-(furan-2-yl)piperidin-4-ol
SMILESCCCCN1CCC(O)(c2ccco2)CC1
InChIInChI=1S/C13H21NO2/c1-2-3-8-14-9-6-13(15,7-10-14)12-5-4-11-16-12/h4-5,11,15H,2-3,6-10H2,1H3
InChIKeyIIIIQHADHUCHQB-UHFFFAOYSA-N
XLogP2.36
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(furan-2-yl)piperidin-4-ol?
The IUPAC name of 1-butyl-4-(furan-2-yl)piperidin-4-ol (CID 3048582) is 1-butyl-4-(furan-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-butyl-4-(furan-2-yl)piperidin-4-ol?
The canonical SMILES for 1-butyl-4-(furan-2-yl)piperidin-4-ol is CCCCN1CCC(O)(c2ccco2)CC1.
What is the InChIKey of 1-butyl-4-(furan-2-yl)piperidin-4-ol?
The InChIKey is IIIIQHADHUCHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-8-14-9-6-13(15,7-10-14)12-5-4-11-16-12/h4-5,11,15H,2-3,6-10H2,1H3.
What are the key properties of 1-butyl-4-(furan-2-yl)piperidin-4-ol?
1-butyl-4-(furan-2-yl)piperidin-4-ol has a molecular weight of 223.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(furan-2-yl)piperidin-4-ol is sourced from PubChem (CID 3048582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).