3-piperidin-1-ylprop-1-en-2-amine

C8H16N2 — CID 89021296

IUPAC3-piperidin-1-ylprop-1-en-2-amine
SMILESC=C(N)CN1CCCCC1
InChIInChI=1S/C8H16N2/c1-8(9)7-10-5-3-2-4-6-10/h1-7,9H2
InChIKeyNYDAJENILRKUHQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.94
Rot. Bonds2

About 3-piperidin-1-ylprop-1-en-2-amine

3-piperidin-1-ylprop-1-en-2-amine (PubChem CID 89021296) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-piperidin-1-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-piperidin-1-ylprop-1-en-2-amine
PubChem CID89021296
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-piperidin-1-ylprop-1-en-2-amine
SMILESC=C(N)CN1CCCCC1
InChIInChI=1S/C8H16N2/c1-8(9)7-10-5-3-2-4-6-10/h1-7,9H2
InChIKeyNYDAJENILRKUHQ-UHFFFAOYSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylprop-1-en-2-amine?
The IUPAC name of 3-piperidin-1-ylprop-1-en-2-amine (CID 89021296) is 3-piperidin-1-ylprop-1-en-2-amine.
What is the SMILES notation for 3-piperidin-1-ylprop-1-en-2-amine?
The canonical SMILES for 3-piperidin-1-ylprop-1-en-2-amine is C=C(N)CN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylprop-1-en-2-amine?
The InChIKey is NYDAJENILRKUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(9)7-10-5-3-2-4-6-10/h1-7,9H2.
What are the key properties of 3-piperidin-1-ylprop-1-en-2-amine?
3-piperidin-1-ylprop-1-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylprop-1-en-2-amine is sourced from PubChem (CID 89021296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).