4-[(E)-3-chloroprop-2-enoxy]piperidine

C8H14ClNO — CID 43346317

IUPAC4-[(E)-3-chloroprop-2-enoxy]piperidine
SMILESCl/C=C/COC1CCNCC1
InChIInChI=1S/C8H14ClNO/c9-4-1-7-11-8-2-5-10-6-3-8/h1,4,8,10H,2-3,5-7H2/b4-1+
InChIKeyXESUDPPLSVNUHL-DAFODLJHSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

About 4-[(E)-3-chloroprop-2-enoxy]piperidine

4-[(E)-3-chloroprop-2-enoxy]piperidine (PubChem CID 43346317) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enoxy]piperidine.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enoxy]piperidine
PubChem CID43346317
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name4-[(E)-3-chloroprop-2-enoxy]piperidine
SMILESCl/C=C/COC1CCNCC1
InChIInChI=1S/C8H14ClNO/c9-4-1-7-11-8-2-5-10-6-3-8/h1,4,8,10H,2-3,5-7H2/b4-1+
InChIKeyXESUDPPLSVNUHL-DAFODLJHSA-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-[(E)-3-chloroprop-2-enoxy]piperidine?
The IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]piperidine (CID 43346317) is 4-[(E)-3-chloroprop-2-enoxy]piperidine.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enoxy]piperidine?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enoxy]piperidine is Cl/C=C/COC1CCNCC1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enoxy]piperidine?
The InChIKey is XESUDPPLSVNUHL-DAFODLJHSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-1-7-11-8-2-5-10-6-3-8/h1,4,8,10H,2-3,5-7H2/b4-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enoxy]piperidine?
4-[(E)-3-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-[(E)-3-chloroprop-2-enoxy]piperidine is sourced from PubChem (CID 43346317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).