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

C13H25NO — CID 117268679

IUPAC3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol
SMILESC=C(CCO)CC1CCCCN1C(C)C
InChIInChI=1S/C13H25NO/c1-11(2)14-8-5-4-6-13(14)10-12(3)7-9-15/h11,13,15H,3-10H2,1-2H3
InChIKeyINOSFRWQIVBKMO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

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

3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol (PubChem CID 117268679) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol.

Molecular Properties

Compound Name3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol
PubChem CID117268679
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol
SMILESC=C(CCO)CC1CCCCN1C(C)C
InChIInChI=1S/C13H25NO/c1-11(2)14-8-5-4-6-13(14)10-12(3)7-9-15/h11,13,15H,3-10H2,1-2H3
InChIKeyINOSFRWQIVBKMO-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol?
The IUPAC name of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol (CID 117268679) is 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol.
What is the SMILES notation for 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol?
The canonical SMILES for 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol is C=C(CCO)CC1CCCCN1C(C)C.
What is the InChIKey of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol?
The InChIKey is INOSFRWQIVBKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)14-8-5-4-6-13(14)10-12(3)7-9-15/h11,13,15H,3-10H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol?
3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpiperidin-2-yl)methyl]but-3-en-1-ol is sourced from PubChem (CID 117268679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).