(3R,5S)-5-ethenyl-1-methylpiperidin-3-amine

C8H16N2 — CID 155131905

IUPAC(3R,5S)-5-ethenyl-1-methylpiperidin-3-amine
SMILESC=C[C@@H]1C[C@@H](N)CN(C)C1
InChIInChI=1S/C8H16N2/c1-3-7-4-8(9)6-10(2)5-7/h3,7-8H,1,4-6,9H2,2H3/t7-,8-/m1/s1
InChIKeyHLKLWXWBARLXRY-HTQZYQBOSA-N
MW140.23 g/mol
LogP0.45
Rot. Bonds1

About (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine

(3R,5S)-5-ethenyl-1-methylpiperidin-3-amine (PubChem CID 155131905) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-5-ethenyl-1-methylpiperidin-3-amine
PubChem CID155131905
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3R,5S)-5-ethenyl-1-methylpiperidin-3-amine
SMILESC=C[C@@H]1C[C@@H](N)CN(C)C1
InChIInChI=1S/C8H16N2/c1-3-7-4-8(9)6-10(2)5-7/h3,7-8H,1,4-6,9H2,2H3/t7-,8-/m1/s1
InChIKeyHLKLWXWBARLXRY-HTQZYQBOSA-N
XLogP0.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine?
The IUPAC name of (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine (CID 155131905) is (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine.
What is the SMILES notation for (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine?
The canonical SMILES for (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine is C=C[C@@H]1C[C@@H](N)CN(C)C1.
What is the InChIKey of (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine?
The InChIKey is HLKLWXWBARLXRY-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7-4-8(9)6-10(2)5-7/h3,7-8H,1,4-6,9H2,2H3/t7-,8-/m1/s1.
What are the key properties of (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine?
(3R,5S)-5-ethenyl-1-methylpiperidin-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-ethenyl-1-methylpiperidin-3-amine is sourced from PubChem (CID 155131905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).