1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride

C15H26Cl2N2O — CID 3048600

IUPAC1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride
SMILESCCCCN1CCC(O)(Cc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-2-3-10-17-11-7-15(18,8-12-17)13-14-6-4-5-9-16-14;;/h4-6,9,18H,2-3,7-8,10-13H2,1H3;2*1H
InChIKeyFGOUNKZHBOQSNX-UHFFFAOYSA-N
MW321.29 g/mol
LogP3.09
Rot. Bonds5

About 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride

1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride (PubChem CID 3048600) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride
PubChem CID3048600
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride
SMILESCCCCN1CCC(O)(Cc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-2-3-10-17-11-7-15(18,8-12-17)13-14-6-4-5-9-16-14;;/h4-6,9,18H,2-3,7-8,10-13H2,1H3;2*1H
InChIKeyFGOUNKZHBOQSNX-UHFFFAOYSA-N
XLogP3.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pirmenol
CID 65502
5-Ethyl-2-pyridineethanol
CID 78894
Pirmenol Hydrochloride
CID 65501
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
Doxylamine alcohol
CID 86883
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
2-(1-Methylpiperidin-4-yl)pyridine
CID 3020566
(+-)-cis-2,6-Dimethyl-alpha-phenyl-alpha-2-pyridyl-1-piperidinebutanol monohydrochloride
CID 76962233
2-(2-Pyridyl)propane-1,3-diol
CID 365651
alpha-Methyl-2-pyridineethanol
CID 578865
4-Phenyl-1-(phenyl(pyridin-2-yl)methyl)piperidin-4-ol
CID 44426822

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride (CID 3048600) is 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride is CCCCN1CCC(O)(Cc2ccccn2)CC1.Cl.Cl.
What is the InChIKey of 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride?
The InChIKey is FGOUNKZHBOQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-2-3-10-17-11-7-15(18,8-12-17)13-14-6-4-5-9-16-14;;/h4-6,9,18H,2-3,7-8,10-13H2,1H3;2*1H.
What are the key properties of 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride?
1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 3048600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).