2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one

C13H21NO2 — CID 170020914

IUPAC2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one
SMILESC=C1CN(C(=O)C(C)(C)O)CC/C1=C/CC
InChIInChI=1S/C13H21NO2/c1-5-6-11-7-8-14(9-10(11)2)12(15)13(3,4)16/h6,16H,2,5,7-9H2,1,3-4H3/b11-6-
InChIKeySEFHPINOZCCSMH-WDZFZDKYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds2

About 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one

2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one (PubChem CID 170020914) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one
PubChem CID170020914
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one
SMILESC=C1CN(C(=O)C(C)(C)O)CC/C1=C/CC
InChIInChI=1S/C13H21NO2/c1-5-6-11-7-8-14(9-10(11)2)12(15)13(3,4)16/h6,16H,2,5,7-9H2,1,3-4H3/b11-6-
InChIKeySEFHPINOZCCSMH-WDZFZDKYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one (CID 170020914) is 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one is C=C1CN(C(=O)C(C)(C)O)CC/C1=C/CC.
What is the InChIKey of 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one?
The InChIKey is SEFHPINOZCCSMH-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-6-11-7-8-14(9-10(11)2)12(15)13(3,4)16/h6,16H,2,5,7-9H2,1,3-4H3/b11-6-.
What are the key properties of 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one?
2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[(4Z)-3-methylidene-4-propylidenepiperidin-1-yl]propan-1-one is sourced from PubChem (CID 170020914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).