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

C12H23NO — CID 117268456

IUPAC3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCCN(C(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-4-5-12(9-13)11(3)6-8-14/h10,12,14H,3-9H2,1-2H3
InChIKeyOECPVWTUFQZGBX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds4

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

3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol (PubChem CID 117268456) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol
PubChem CID117268456
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCCN(C(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-4-5-12(9-13)11(3)6-8-14/h10,12,14H,3-9H2,1-2H3
InChIKeyOECPVWTUFQZGBX-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
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 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol?
The IUPAC name of 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol (CID 117268456) is 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol is C=C(CCO)C1CCCN(C(C)C)C1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol?
The InChIKey is OECPVWTUFQZGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-7-4-5-12(9-13)11(3)6-8-14/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol?
3-(1-propan-2-ylpiperidin-3-yl)but-3-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 4 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-3-yl)but-3-en-1-ol is sourced from PubChem (CID 117268456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).