2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol

C12H23NO — CID 134447411

IUPAC2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol
SMILESC=C(C)C1CCN(C(O)C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)4/h10-12,14H,1,5-8H2,2-4H3
InChIKeyRADLEJJUUIQGHG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol

2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol (PubChem CID 134447411) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol
PubChem CID134447411
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol
SMILESC=C(C)C1CCN(C(O)C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)4/h10-12,14H,1,5-8H2,2-4H3
InChIKeyRADLEJJUUIQGHG-UHFFFAOYSA-N
XLogP2.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol (CID 134447411) is 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol is C=C(C)C1CCN(C(O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol?
The InChIKey is RADLEJJUUIQGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)4/h10-12,14H,1,5-8H2,2-4H3.
What are the key properties of 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol?
2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 134447411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).