1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one

C19H39N3O3 — CID 159017254

IUPAC1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one
SMILESCC1(O)CCNCC1.CN1CCC(=O)CC1.CN1CCC(C)(O)CC1
InChIInChI=1S/C7H15NO.C6H11NO.C6H13NO/c1-7(9)3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6(8)2-4-7-5-3-6/h9H,3-6H2,1-2H3;2-5H2,1H3;7-8H,2-5H2,1H3
InChIKeyJTGCBAOMAWHXFB-UHFFFAOYSA-N
MW357.54 g/mol
LogP0.86
Rot. Bonds

About 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one

1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one (PubChem CID 159017254) has the molecular formula C19H39N3O3 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one.

Molecular Properties

Compound Name1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one
PubChem CID159017254
Molecular FormulaC19H39N3O3
Molecular Weight357.54 g/mol
Exact Mass357.30
IUPAC Name1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one
SMILESCC1(O)CCNCC1.CN1CCC(=O)CC1.CN1CCC(C)(O)CC1
InChIInChI=1S/C7H15NO.C6H11NO.C6H13NO/c1-7(9)3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6(8)2-4-7-5-3-6/h9H,3-6H2,1-2H3;2-5H2,1H3;7-8H,2-5H2,1H3
InChIKeyJTGCBAOMAWHXFB-UHFFFAOYSA-N
XLogP0.86
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-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 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The IUPAC name of 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one (CID 159017254) is 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one.
What is the SMILES notation for 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The canonical SMILES for 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one is CC1(O)CCNCC1.CN1CCC(=O)CC1.CN1CCC(C)(O)CC1.
What is the InChIKey of 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The InChIKey is JTGCBAOMAWHXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H11NO.C6H13NO/c1-7(9)3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6(8)2-4-7-5-3-6/h9H,3-6H2,1-2H3;2-5H2,1H3;7-8H,2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one?
1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one has a molecular weight of 357.54 g/mol, XLogP of 0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidin-4-ol;4-methylpiperidin-4-ol;1-methylpiperidin-4-one is sourced from PubChem (CID 159017254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).