1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol

C13H27NO5 — CID 174805554

IUPAC1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol
SMILESC=C(C)C(=O)O.CN1CCCCC1.OCC(O)CO
InChIInChI=1S/C6H13N.C4H6O2.C3H8O3/c1-7-5-3-2-4-6-7;1-3(2)4(5)6;4-1-3(6)2-5/h2-6H2,1H3;1H2,2H3,(H,5,6);3-6H,1-2H2
InChIKeyFOULQVPRSMAMGK-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.08
Rot. Bonds3

About 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol

1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol (PubChem CID 174805554) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol.

Molecular Properties

Compound Name1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol
PubChem CID174805554
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol
SMILESC=C(C)C(=O)O.CN1CCCCC1.OCC(O)CO
InChIInChI=1S/C6H13N.C4H6O2.C3H8O3/c1-7-5-3-2-4-6-7;1-3(2)4(5)6;4-1-3(6)2-5/h2-6H2,1H3;1H2,2H3,(H,5,6);3-6H,1-2H2
InChIKeyFOULQVPRSMAMGK-UHFFFAOYSA-N
XLogP0.08
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol with MolForge

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

Launch Full Analysis

Related Compounds

2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
butanedioic acid;bis(2-methylprop-2-enoic acid);propane-1,2,3-triol
CID 162197824
3-chloropropane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 71431738
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid
CID 174941495
hexane-1,2-diol;2-methylprop-2-enoic acid
CID 126599636
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
CID 68948425

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol?
The IUPAC name of 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol (CID 174805554) is 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol.
What is the SMILES notation for 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol?
The canonical SMILES for 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol is C=C(C)C(=O)O.CN1CCCCC1.OCC(O)CO.
What is the InChIKey of 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol?
The InChIKey is FOULQVPRSMAMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H6O2.C3H8O3/c1-7-5-3-2-4-6-7;1-3(2)4(5)6;4-1-3(6)2-5/h2-6H2,1H3;1H2,2H3,(H,5,6);3-6H,1-2H2.
What are the key properties of 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol?
1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol has a molecular weight of 277.36 g/mol, XLogP of 0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;2-methylprop-2-enoic acid;propane-1,2,3-triol is sourced from PubChem (CID 174805554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).