(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol

C7H14INO — CID 89166355

IUPAC(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
SMILESCN1CC[C@@H](CI)[C@H](O)C1
InChIInChI=1S/C7H14INO/c1-9-3-2-6(4-8)7(10)5-9/h6-7,10H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyRAAUHFUIKHPTPT-NKWVEPMBSA-N
MW255.10 g/mol
LogP0.73
Rot. Bonds1

About (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol

(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol (PubChem CID 89166355) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
PubChem CID89166355
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC Name(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
SMILESCN1CC[C@@H](CI)[C@H](O)C1
InChIInChI=1S/C7H14INO/c1-9-3-2-6(4-8)7(10)5-9/h6-7,10H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyRAAUHFUIKHPTPT-NKWVEPMBSA-N
XLogP0.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol 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 (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol?
The IUPAC name of (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol (CID 89166355) is (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol is CN1CC[C@@H](CI)[C@H](O)C1.
What is the InChIKey of (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol?
The InChIKey is RAAUHFUIKHPTPT-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14INO/c1-9-3-2-6(4-8)7(10)5-9/h6-7,10H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol?
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol has a molecular weight of 255.10 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 89166355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).