(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine

C10H18ClN — CID 131246025

IUPAC(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
SMILESC[C@H]1CCN(C/C=C/Cl)[C@@H](C)C1
InChIInChI=1S/C10H18ClN/c1-9-4-7-12(6-3-5-11)10(2)8-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+/t9-,10-/m0/s1
InChIKeyAEUWEXNNVZKMDS-GMRPRLDHSA-N
MW187.71 g/mol
LogP2.86
Rot. Bonds2

About (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine

(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine (PubChem CID 131246025) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine.

Molecular Properties

Compound Name(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
PubChem CID131246025
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine
SMILESC[C@H]1CCN(C/C=C/Cl)[C@@H](C)C1
InChIInChI=1S/C10H18ClN/c1-9-4-7-12(6-3-5-11)10(2)8-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+/t9-,10-/m0/s1
InChIKeyAEUWEXNNVZKMDS-GMRPRLDHSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine?
The IUPAC name of (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine (CID 131246025) is (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine.
What is the SMILES notation for (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine?
The canonical SMILES for (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine is C[C@H]1CCN(C/C=C/Cl)[C@@H](C)C1.
What is the InChIKey of (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine?
The InChIKey is AEUWEXNNVZKMDS-GMRPRLDHSA-N. The full InChI is InChI=1S/C10H18ClN/c1-9-4-7-12(6-3-5-11)10(2)8-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine?
(2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine has a molecular weight of 187.71 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperidine is sourced from PubChem (CID 131246025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).