(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one

C12H21NO2 — CID 80707062

IUPAC(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H21NO2/c1-4-5-10(2)11(14)13-8-6-12(3,15)7-9-13/h5,15H,4,6-9H2,1-3H3/b10-5-
InChIKeyVSUBOSIBCGMZRM-YHYXMXQVSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds2

About (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one

(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one (PubChem CID 80707062) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
PubChem CID80707062
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H21NO2/c1-4-5-10(2)11(14)13-8-6-12(3,15)7-9-13/h5,15H,4,6-9H2,1-3H3/b10-5-
InChIKeyVSUBOSIBCGMZRM-YHYXMXQVSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one (CID 80707062) is (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one is CC/C=C(/C)C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one?
The InChIKey is VSUBOSIBCGMZRM-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-5-10(2)11(14)13-8-6-12(3,15)7-9-13/h5,15H,4,6-9H2,1-3H3/b10-5-.
What are the key properties of (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one?
(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one is sourced from PubChem (CID 80707062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).