1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one

C15H27NO2 — CID 126820800

IUPAC1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one
SMILESC=C(C)CC(C)C(=O)N1CCCCC1C(O)CC
InChIInChI=1S/C15H27NO2/c1-5-14(17)13-8-6-7-9-16(13)15(18)12(4)10-11(2)3/h12-14,17H,2,5-10H2,1,3-4H3
InChIKeyZTUGJBCLURHORW-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one

1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one (PubChem CID 126820800) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one.

Molecular Properties

Compound Name1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one
PubChem CID126820800
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one
SMILESC=C(C)CC(C)C(=O)N1CCCCC1C(O)CC
InChIInChI=1S/C15H27NO2/c1-5-14(17)13-8-6-7-9-16(13)15(18)12(4)10-11(2)3/h12-14,17H,2,5-10H2,1,3-4H3
InChIKeyZTUGJBCLURHORW-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.74
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 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one?
The IUPAC name of 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one (CID 126820800) is 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one.
What is the SMILES notation for 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one?
The canonical SMILES for 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one is C=C(C)CC(C)C(=O)N1CCCCC1C(O)CC.
What is the InChIKey of 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one?
The InChIKey is ZTUGJBCLURHORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-14(17)13-8-6-7-9-16(13)15(18)12(4)10-11(2)3/h12-14,17H,2,5-10H2,1,3-4H3.
What are the key properties of 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one?
1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxypropyl)piperidin-1-yl]-2,4-dimethylpent-4-en-1-one is sourced from PubChem (CID 126820800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).