3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol

C12H23NO — CID 117268678

IUPAC3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol
SMILESC=C(CCO)CC1CCCCN1CC
InChIInChI=1S/C12H23NO/c1-3-13-8-5-4-6-12(13)10-11(2)7-9-14/h12,14H,2-10H2,1H3
InChIKeyUTSLMTYFOQEXKS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol

3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol (PubChem CID 117268678) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol
PubChem CID117268678
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol
SMILESC=C(CCO)CC1CCCCN1CC
InChIInChI=1S/C12H23NO/c1-3-13-8-5-4-6-12(13)10-11(2)7-9-14/h12,14H,2-10H2,1H3
InChIKeyUTSLMTYFOQEXKS-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[1-(3-Methylbut-3-enyl)piperidin-2-yl]propan-2-ol
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2-(1-Methylpiperidin-2-yl)prop-2-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol?
The IUPAC name of 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol (CID 117268678) is 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol.
What is the SMILES notation for 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol?
The canonical SMILES for 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol is C=C(CCO)CC1CCCCN1CC.
What is the InChIKey of 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol?
The InChIKey is UTSLMTYFOQEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13-8-5-4-6-12(13)10-11(2)7-9-14/h12,14H,2-10H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol?
3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-2-yl)methyl]but-3-en-1-ol is sourced from PubChem (CID 117268678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).