4-prop-2-enylpiperidin-4-amine

C8H16N2 — CID 12000258

IUPAC4-prop-2-enylpiperidin-4-amine
SMILESC=CCC1(N)CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-8(9)4-6-10-7-5-8/h2,10H,1,3-7,9H2
InChIKeyYWDVJYFJJNNPTN-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.64
Rot. Bonds2

About 4-prop-2-enylpiperidin-4-amine

4-prop-2-enylpiperidin-4-amine (PubChem CID 12000258) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Name4-prop-2-enylpiperidin-4-amine
PubChem CID12000258
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-prop-2-enylpiperidin-4-amine
SMILESC=CCC1(N)CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-8(9)4-6-10-7-5-8/h2,10H,1,3-7,9H2
InChIKeyYWDVJYFJJNNPTN-UHFFFAOYSA-N
XLogP0.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
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 4-prop-2-enylpiperidin-4-amine?
The IUPAC name of 4-prop-2-enylpiperidin-4-amine (CID 12000258) is 4-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for 4-prop-2-enylpiperidin-4-amine?
The canonical SMILES for 4-prop-2-enylpiperidin-4-amine is C=CCC1(N)CCNCC1.
What is the InChIKey of 4-prop-2-enylpiperidin-4-amine?
The InChIKey is YWDVJYFJJNNPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-8(9)4-6-10-7-5-8/h2,10H,1,3-7,9H2.
What are the key properties of 4-prop-2-enylpiperidin-4-amine?
4-prop-2-enylpiperidin-4-amine has a molecular weight of 140.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 12000258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).