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

C13H22ClNO2 — CID 3048581

IUPAC1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride
SMILESCCCCN1CCC(O)(c2ccco2)CC1.Cl
InChIInChI=1S/C13H21NO2.ClH/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;1H
InChIKeyQEMIWXBPPYGOMV-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.78
Rot. Bonds4

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

1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride (PubChem CID 3048581) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride
PubChem CID3048581
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride
SMILESCCCCN1CCC(O)(c2ccco2)CC1.Cl
InChIInChI=1S/C13H21NO2.ClH/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;1H
InChIKeyQEMIWXBPPYGOMV-UHFFFAOYSA-N
XLogP2.78
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.78
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;hydrochloride?
The IUPAC name of 1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride (CID 3048581) is 1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride is CCCCN1CCC(O)(c2ccco2)CC1.Cl.
What is the InChIKey of 1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride?
The InChIKey is QEMIWXBPPYGOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/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;1H.
What are the key properties of 1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride?
1-butyl-4-(furan-2-yl)piperidin-4-ol;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.78, 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;hydrochloride is sourced from PubChem (CID 3048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).