(3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine

C8H13Cl2NO — CID 131501130

IUPAC(3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine
SMILESCl/C=C(/Cl)CO[C@H]1CCCNC1
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)6-12-8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2/b7-4+/t8-/m0/s1
InChIKeyQTMQDEZNQOFIGT-IPWDFOCMSA-N
MW210.10 g/mol
LogP2.07
Rot. Bonds3

About (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine

(3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine (PubChem CID 131501130) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine
PubChem CID131501130
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name(3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine
SMILESCl/C=C(/Cl)CO[C@H]1CCCNC1
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)6-12-8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2/b7-4+/t8-/m0/s1
InChIKeyQTMQDEZNQOFIGT-IPWDFOCMSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine?
The IUPAC name of (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine (CID 131501130) is (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine.
What is the SMILES notation for (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine?
The canonical SMILES for (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine is Cl/C=C(/Cl)CO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine?
The InChIKey is QTMQDEZNQOFIGT-IPWDFOCMSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c9-4-7(10)6-12-8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2/b7-4+/t8-/m0/s1.
What are the key properties of (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine?
(3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine has a molecular weight of 210.10 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(E)-2,3-dichloroprop-2-enoxy]piperidine is sourced from PubChem (CID 131501130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).