(2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine

C13H25N — CID 67498367

IUPAC(2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine
SMILESCCCCC/C=C/[C@@H]1CCC[C@@H](C)N1
InChIInChI=1S/C13H25N/c1-3-4-5-6-7-10-13-11-8-9-12(2)14-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3/b10-7+/t12-,13-/m1/s1
InChIKeyJOGPQFRNOYNYRY-ILGUYDGLSA-N
MW195.35 g/mol
LogP3.65
Rot. Bonds5

About (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine

(2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine (PubChem CID 67498367) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine.

Molecular Properties

Compound Name(2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine
PubChem CID67498367
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine
SMILESCCCCC/C=C/[C@@H]1CCC[C@@H](C)N1
InChIInChI=1S/C13H25N/c1-3-4-5-6-7-10-13-11-8-9-12(2)14-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3/b10-7+/t12-,13-/m1/s1
InChIKeyJOGPQFRNOYNYRY-ILGUYDGLSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine?
The IUPAC name of (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine (CID 67498367) is (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine.
What is the SMILES notation for (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine?
The canonical SMILES for (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine is CCCCC/C=C/[C@@H]1CCC[C@@H](C)N1.
What is the InChIKey of (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine?
The InChIKey is JOGPQFRNOYNYRY-ILGUYDGLSA-N. The full InChI is InChI=1S/C13H25N/c1-3-4-5-6-7-10-13-11-8-9-12(2)14-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3/b10-7+/t12-,13-/m1/s1.
What are the key properties of (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine?
(2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[(E)-hept-1-enyl]-6-methylpiperidine is sourced from PubChem (CID 67498367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).