1-methyl-N-prop-2-enylpiperidin-4-amine

C9H18N2 — CID 4711811

IUPAC1-methyl-N-prop-2-enylpiperidin-4-amine
SMILESC=CCNC1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-3-6-10-9-4-7-11(2)8-5-9/h3,9-10H,1,4-8H2,2H3
InChIKeyLRFVAKYIFWLXLN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

About 1-methyl-N-prop-2-enylpiperidin-4-amine

1-methyl-N-prop-2-enylpiperidin-4-amine (PubChem CID 4711811) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-prop-2-enylpiperidin-4-amine
PubChem CID4711811
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-N-prop-2-enylpiperidin-4-amine
SMILESC=CCNC1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-3-6-10-9-4-7-11(2)8-5-9/h3,9-10H,1,4-8H2,2H3
InChIKeyLRFVAKYIFWLXLN-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-N-prop-2-enylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-prop-2-enylpiperidin-4-amine?
The IUPAC name of 1-methyl-N-prop-2-enylpiperidin-4-amine (CID 4711811) is 1-methyl-N-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for 1-methyl-N-prop-2-enylpiperidin-4-amine?
The canonical SMILES for 1-methyl-N-prop-2-enylpiperidin-4-amine is C=CCNC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-prop-2-enylpiperidin-4-amine?
The InChIKey is LRFVAKYIFWLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-6-10-9-4-7-11(2)8-5-9/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-methyl-N-prop-2-enylpiperidin-4-amine?
1-methyl-N-prop-2-enylpiperidin-4-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 4711811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).