2-iodo-1-methyl-3-methylidenepiperidine

C7H12IN — CID 175863777

IUPAC2-iodo-1-methyl-3-methylidenepiperidine
SMILESC=C1CCCN(C)C1I
InChIInChI=1S/C7H12IN/c1-6-4-3-5-9(2)7(6)8/h7H,1,3-5H2,2H3
InChIKeyCDRBDPJSLQNLRM-UHFFFAOYSA-N
MW237.08 g/mol
LogP2.03
Rot. Bonds

About 2-iodo-1-methyl-3-methylidenepiperidine

2-iodo-1-methyl-3-methylidenepiperidine (PubChem CID 175863777) has the molecular formula C7H12IN and a molecular weight of 237.08 g/mol. Its IUPAC name is 2-iodo-1-methyl-3-methylidenepiperidine.

Molecular Properties

Compound Name2-iodo-1-methyl-3-methylidenepiperidine
PubChem CID175863777
Molecular FormulaC7H12IN
Molecular Weight237.08 g/mol
Exact Mass237.00
IUPAC Name2-iodo-1-methyl-3-methylidenepiperidine
SMILESC=C1CCCN(C)C1I
InChIInChI=1S/C7H12IN/c1-6-4-3-5-9(2)7(6)8/h7H,1,3-5H2,2H3
InChIKeyCDRBDPJSLQNLRM-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-3-methylidenepiperidine?
The IUPAC name of 2-iodo-1-methyl-3-methylidenepiperidine (CID 175863777) is 2-iodo-1-methyl-3-methylidenepiperidine.
What is the SMILES notation for 2-iodo-1-methyl-3-methylidenepiperidine?
The canonical SMILES for 2-iodo-1-methyl-3-methylidenepiperidine is C=C1CCCN(C)C1I.
What is the InChIKey of 2-iodo-1-methyl-3-methylidenepiperidine?
The InChIKey is CDRBDPJSLQNLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN/c1-6-4-3-5-9(2)7(6)8/h7H,1,3-5H2,2H3.
What are the key properties of 2-iodo-1-methyl-3-methylidenepiperidine?
2-iodo-1-methyl-3-methylidenepiperidine has a molecular weight of 237.08 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methyl-3-methylidenepiperidine is sourced from PubChem (CID 175863777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).