(1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate

C10H19IN2O2 — CID 87171656

IUPAC(1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate
SMILESCC(NI)C(=O)OCC1CCN(C)CC1
InChIInChI=1S/C10H19IN2O2/c1-8(12-11)10(14)15-7-9-3-5-13(2)6-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyOSANUEFQMPPKFM-UHFFFAOYSA-N
MW326.18 g/mol
LogP1.20
Rot. Bonds4

About (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate

(1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate (PubChem CID 87171656) has the molecular formula C10H19IN2O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate
PubChem CID87171656
Molecular FormulaC10H19IN2O2
Molecular Weight326.18 g/mol
Exact Mass326.05
IUPAC Name(1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate
SMILESCC(NI)C(=O)OCC1CCN(C)CC1
InChIInChI=1S/C10H19IN2O2/c1-8(12-11)10(14)15-7-9-3-5-13(2)6-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyOSANUEFQMPPKFM-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate 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-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate (CID 87171656) is (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate is CC(NI)C(=O)OCC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate?
The InChIKey is OSANUEFQMPPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2O2/c1-8(12-11)10(14)15-7-9-3-5-13(2)6-4-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate?
(1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate has a molecular weight of 326.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 2-(iodoamino)propanoate is sourced from PubChem (CID 87171656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).