4-ethyl-1-methanidylpiperidin-1-ium-4-ol

C8H17NO — CID 21029995

IUPAC4-ethyl-1-methanidylpiperidin-1-ium-4-ol
SMILES[CH2-][NH+]1CCC(O)(CC)CC1
InChIInChI=1S/C8H17NO/c1-3-8(10)4-6-9(2)7-5-8/h9-10H,2-7H2,1H3
InChIKeyWQXSMMXLQFEGBY-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.40
Rot. Bonds1

About 4-ethyl-1-methanidylpiperidin-1-ium-4-ol

4-ethyl-1-methanidylpiperidin-1-ium-4-ol (PubChem CID 21029995) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-ethyl-1-methanidylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name4-ethyl-1-methanidylpiperidin-1-ium-4-ol
PubChem CID21029995
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-ethyl-1-methanidylpiperidin-1-ium-4-ol
SMILES[CH2-][NH+]1CCC(O)(CC)CC1
InChIInChI=1S/C8H17NO/c1-3-8(10)4-6-9(2)7-5-8/h9-10H,2-7H2,1H3
InChIKeyWQXSMMXLQFEGBY-UHFFFAOYSA-N
XLogP-0.40
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethylthian-4-ol
CID 83681865
1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexan-1-ol
CID 139648654
3-amino-1-ethylcyclobutan-1-ol
CID 80561372
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756511
4-aminosulfanyl-1-ethylcyclohexan-1-ol
CID 151578432
3-ethylthietan-3-ol
CID 83681713
1-(4-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 131155505
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
CID 97052724
1-ethyl-3,3,5,5-tetramethylcyclohexan-1-ol
CID 66847688

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methanidylpiperidin-1-ium-4-ol?
The IUPAC name of 4-ethyl-1-methanidylpiperidin-1-ium-4-ol (CID 21029995) is 4-ethyl-1-methanidylpiperidin-1-ium-4-ol.
What is the SMILES notation for 4-ethyl-1-methanidylpiperidin-1-ium-4-ol?
The canonical SMILES for 4-ethyl-1-methanidylpiperidin-1-ium-4-ol is [CH2-][NH+]1CCC(O)(CC)CC1.
What is the InChIKey of 4-ethyl-1-methanidylpiperidin-1-ium-4-ol?
The InChIKey is WQXSMMXLQFEGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(10)4-6-9(2)7-5-8/h9-10H,2-7H2,1H3.
What are the key properties of 4-ethyl-1-methanidylpiperidin-1-ium-4-ol?
4-ethyl-1-methanidylpiperidin-1-ium-4-ol has a molecular weight of 143.23 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methanidylpiperidin-1-ium-4-ol is sourced from PubChem (CID 21029995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).