1,1-diethylpiperidin-1-ium-4-ol

C9H20NO+ — CID 58922726

IUPAC1,1-diethylpiperidin-1-ium-4-ol
SMILESCC[N+]1(CC)CCC(O)CC1
InChIInChI=1S/C9H20NO/c1-3-10(4-2)7-5-9(11)6-8-10/h9,11H,3-8H2,1-2H3/q+1
InChIKeyDSOKOUVLMPINII-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.00
Rot. Bonds2

About 1,1-diethylpiperidin-1-ium-4-ol

1,1-diethylpiperidin-1-ium-4-ol (PubChem CID 58922726) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is 1,1-diethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name1,1-diethylpiperidin-1-ium-4-ol
PubChem CID58922726
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name1,1-diethylpiperidin-1-ium-4-ol
SMILESCC[N+]1(CC)CCC(O)CC1
InChIInChI=1S/C9H20NO/c1-3-10(4-2)7-5-9(11)6-8-10/h9,11H,3-8H2,1-2H3/q+1
InChIKeyDSOKOUVLMPINII-UHFFFAOYSA-N
XLogP1.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethylpiperidin-1-ium-4-ol?
The IUPAC name of 1,1-diethylpiperidin-1-ium-4-ol (CID 58922726) is 1,1-diethylpiperidin-1-ium-4-ol.
What is the SMILES notation for 1,1-diethylpiperidin-1-ium-4-ol?
The canonical SMILES for 1,1-diethylpiperidin-1-ium-4-ol is CC[N+]1(CC)CCC(O)CC1.
What is the InChIKey of 1,1-diethylpiperidin-1-ium-4-ol?
The InChIKey is DSOKOUVLMPINII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-3-10(4-2)7-5-9(11)6-8-10/h9,11H,3-8H2,1-2H3/q+1.
What are the key properties of 1,1-diethylpiperidin-1-ium-4-ol?
1,1-diethylpiperidin-1-ium-4-ol has a molecular weight of 158.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 58922726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).