1,4-dibutylpiperidin-4-ol;hydrochloride

C13H28ClNO — CID 3048622

IUPAC1,4-dibutylpiperidin-4-ol;hydrochloride
SMILESCCCCN1CCC(O)(CCCC)CC1.Cl
InChIInChI=1S/C13H27NO.ClH/c1-3-5-7-13(15)8-11-14(12-9-13)10-6-4-2;/h15H,3-12H2,1-2H3;1H
InChIKeyQQCPOHHISOSHJA-UHFFFAOYSA-N
MW249.83 g/mol
LogP3.23
Rot. Bonds6

About 1,4-dibutylpiperidin-4-ol;hydrochloride

1,4-dibutylpiperidin-4-ol;hydrochloride (PubChem CID 3048622) has the molecular formula C13H28ClNO and a molecular weight of 249.83 g/mol. Its IUPAC name is 1,4-dibutylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1,4-dibutylpiperidin-4-ol;hydrochloride
PubChem CID3048622
Molecular FormulaC13H28ClNO
Molecular Weight249.83 g/mol
Exact Mass249.19
IUPAC Name1,4-dibutylpiperidin-4-ol;hydrochloride
SMILESCCCCN1CCC(O)(CCCC)CC1.Cl
InChIInChI=1S/C13H27NO.ClH/c1-3-5-7-13(15)8-11-14(12-9-13)10-6-4-2;/h15H,3-12H2,1-2H3;1H
InChIKeyQQCPOHHISOSHJA-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibutylpiperidin-4-ol;hydrochloride?
The IUPAC name of 1,4-dibutylpiperidin-4-ol;hydrochloride (CID 3048622) is 1,4-dibutylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 1,4-dibutylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 1,4-dibutylpiperidin-4-ol;hydrochloride is CCCCN1CCC(O)(CCCC)CC1.Cl.
What is the InChIKey of 1,4-dibutylpiperidin-4-ol;hydrochloride?
The InChIKey is QQCPOHHISOSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.ClH/c1-3-5-7-13(15)8-11-14(12-9-13)10-6-4-2;/h15H,3-12H2,1-2H3;1H.
What are the key properties of 1,4-dibutylpiperidin-4-ol;hydrochloride?
1,4-dibutylpiperidin-4-ol;hydrochloride has a molecular weight of 249.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 3048622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).