1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine

C11H20ClNO — CID 103067874

IUPAC1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine
SMILESC=C(CCl)CN1CCC(COC)CC1
InChIInChI=1S/C11H20ClNO/c1-10(7-12)8-13-5-3-11(4-6-13)9-14-2/h11H,1,3-9H2,2H3
InChIKeyLBXOGIBMDRXXNL-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine

1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine (PubChem CID 103067874) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine
PubChem CID103067874
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine
SMILESC=C(CCl)CN1CCC(COC)CC1
InChIInChI=1S/C11H20ClNO/c1-10(7-12)8-13-5-3-11(4-6-13)9-14-2/h11H,1,3-9H2,2H3
InChIKeyLBXOGIBMDRXXNL-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine (CID 103067874) is 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine is C=C(CCl)CN1CCC(COC)CC1.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine?
The InChIKey is LBXOGIBMDRXXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(7-12)8-13-5-3-11(4-6-13)9-14-2/h11H,1,3-9H2,2H3.
What are the key properties of 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine?
1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine has a molecular weight of 217.74 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enyl]-4-(methoxymethyl)piperidine is sourced from PubChem (CID 103067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).