4-(2-chloroprop-2-enoxy)piperidine

C8H14ClNO — CID 43167841

IUPAC4-(2-chloroprop-2-enoxy)piperidine
SMILESC=C(Cl)COC1CCNCC1
InChIInChI=1S/C8H14ClNO/c1-7(9)6-11-8-2-4-10-5-3-8/h8,10H,1-6H2
InChIKeyJIHJCMDPEMFKRY-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

About 4-(2-chloroprop-2-enoxy)piperidine

4-(2-chloroprop-2-enoxy)piperidine (PubChem CID 43167841) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enoxy)piperidine.

Molecular Properties

Compound Name4-(2-chloroprop-2-enoxy)piperidine
PubChem CID43167841
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name4-(2-chloroprop-2-enoxy)piperidine
SMILESC=C(Cl)COC1CCNCC1
InChIInChI=1S/C8H14ClNO/c1-7(9)6-11-8-2-4-10-5-3-8/h8,10H,1-6H2
InChIKeyJIHJCMDPEMFKRY-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enoxy)piperidine?
The IUPAC name of 4-(2-chloroprop-2-enoxy)piperidine (CID 43167841) is 4-(2-chloroprop-2-enoxy)piperidine.
What is the SMILES notation for 4-(2-chloroprop-2-enoxy)piperidine?
The canonical SMILES for 4-(2-chloroprop-2-enoxy)piperidine is C=C(Cl)COC1CCNCC1.
What is the InChIKey of 4-(2-chloroprop-2-enoxy)piperidine?
The InChIKey is JIHJCMDPEMFKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-7(9)6-11-8-2-4-10-5-3-8/h8,10H,1-6H2.
What are the key properties of 4-(2-chloroprop-2-enoxy)piperidine?
4-(2-chloroprop-2-enoxy)piperidine has a molecular weight of 175.66 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enoxy)piperidine is sourced from PubChem (CID 43167841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).