1-but-3-ynyl-3-ethylpiperidin-4-ol

C11H19NO — CID 114511006

IUPAC1-but-3-ynyl-3-ethylpiperidin-4-ol
SMILESC#CCCN1CCC(O)C(CC)C1
InChIInChI=1S/C11H19NO/c1-3-5-7-12-8-6-11(13)10(4-2)9-12/h1,10-11,13H,4-9H2,2H3
InChIKeyDXGUSKPGCJGAEQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds3

About 1-but-3-ynyl-3-ethylpiperidin-4-ol

1-but-3-ynyl-3-ethylpiperidin-4-ol (PubChem CID 114511006) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-but-3-ynyl-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-but-3-ynyl-3-ethylpiperidin-4-ol
PubChem CID114511006
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-but-3-ynyl-3-ethylpiperidin-4-ol
SMILESC#CCCN1CCC(O)C(CC)C1
InChIInChI=1S/C11H19NO/c1-3-5-7-12-8-6-11(13)10(4-2)9-12/h1,10-11,13H,4-9H2,2H3
InChIKeyDXGUSKPGCJGAEQ-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
CID 129497995
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149
3-ethyl-1-hept-6-enylpiperidin-4-ol
CID 107011021
CID 157041264
CID 157041264
(1-but-3-ynylpyrrolidin-3-yl)methanol
CID 62372268
3-ethyl-1-(2-methylidenebutyl)piperidin-4-ol
CID 114511194
3-ethyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114510787
3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
CID 114511182
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-3-ethylpiperidin-4-ol?
The IUPAC name of 1-but-3-ynyl-3-ethylpiperidin-4-ol (CID 114511006) is 1-but-3-ynyl-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-but-3-ynyl-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-but-3-ynyl-3-ethylpiperidin-4-ol is C#CCCN1CCC(O)C(CC)C1.
What is the InChIKey of 1-but-3-ynyl-3-ethylpiperidin-4-ol?
The InChIKey is DXGUSKPGCJGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-7-12-8-6-11(13)10(4-2)9-12/h1,10-11,13H,4-9H2,2H3.
What are the key properties of 1-but-3-ynyl-3-ethylpiperidin-4-ol?
1-but-3-ynyl-3-ethylpiperidin-4-ol has a molecular weight of 181.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114511006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).