4-(3-chloro-2-methylprop-2-enoxy)piperidine

C9H16ClNO — CID 106439099

IUPAC4-(3-chloro-2-methylprop-2-enoxy)piperidine
SMILESCC(=CCl)COC1CCNCC1
InChIInChI=1S/C9H16ClNO/c1-8(6-10)7-12-9-2-4-11-5-3-9/h6,9,11H,2-5,7H2,1H3
InChIKeyGSOVHYZJVGMYIF-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds3

About 4-(3-chloro-2-methylprop-2-enoxy)piperidine

4-(3-chloro-2-methylprop-2-enoxy)piperidine (PubChem CID 106439099) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-(3-chloro-2-methylprop-2-enoxy)piperidine.

Molecular Properties

Compound Name4-(3-chloro-2-methylprop-2-enoxy)piperidine
PubChem CID106439099
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-(3-chloro-2-methylprop-2-enoxy)piperidine
SMILESCC(=CCl)COC1CCNCC1
InChIInChI=1S/C9H16ClNO/c1-8(6-10)7-12-9-2-4-11-5-3-9/h6,9,11H,2-5,7H2,1H3
InChIKeyGSOVHYZJVGMYIF-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylprop-2-enoxy)piperidine?
The IUPAC name of 4-(3-chloro-2-methylprop-2-enoxy)piperidine (CID 106439099) is 4-(3-chloro-2-methylprop-2-enoxy)piperidine.
What is the SMILES notation for 4-(3-chloro-2-methylprop-2-enoxy)piperidine?
The canonical SMILES for 4-(3-chloro-2-methylprop-2-enoxy)piperidine is CC(=CCl)COC1CCNCC1.
What is the InChIKey of 4-(3-chloro-2-methylprop-2-enoxy)piperidine?
The InChIKey is GSOVHYZJVGMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(6-10)7-12-9-2-4-11-5-3-9/h6,9,11H,2-5,7H2,1H3.
What are the key properties of 4-(3-chloro-2-methylprop-2-enoxy)piperidine?
4-(3-chloro-2-methylprop-2-enoxy)piperidine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylprop-2-enoxy)piperidine is sourced from PubChem (CID 106439099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).