1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol

C11H21NO2 — CID 154661382

IUPAC1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol
SMILESC=C(C)OCCCN1CCC(O)CC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-9-3-6-12-7-4-11(13)5-8-12/h11,13H,1,3-9H2,2H3
InChIKeyXCRUYSQSSGZSOH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.38
Rot. Bonds5

About 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol

1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol (PubChem CID 154661382) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol
PubChem CID154661382
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol
SMILESC=C(C)OCCCN1CCC(O)CC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-9-3-6-12-7-4-11(13)5-8-12/h11,13H,1,3-9H2,2H3
InChIKeyXCRUYSQSSGZSOH-UHFFFAOYSA-N
XLogP1.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol?
The IUPAC name of 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol (CID 154661382) is 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol?
The canonical SMILES for 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol is C=C(C)OCCCN1CCC(O)CC1.
What is the InChIKey of 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol?
The InChIKey is XCRUYSQSSGZSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)14-9-3-6-12-7-4-11(13)5-8-12/h11,13H,1,3-9H2,2H3.
What are the key properties of 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol?
1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol has a molecular weight of 199.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-1-en-2-yloxypropyl)piperidin-4-ol is sourced from PubChem (CID 154661382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).