N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine

C13H24N2 — CID 22309090

IUPACN-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCC1CCNCC1
InChIInChI=1S/C13H24N2/c1-3-10-15(11-4-2)12-7-13-5-8-14-9-6-13/h3-4,13-14H,1-2,5-12H2
InChIKeyOHPCRBSNXBLJCT-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.05
Rot. Bonds7

About N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine

N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 22309090) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID22309090
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCC1CCNCC1
InChIInChI=1S/C13H24N2/c1-3-10-15(11-4-2)12-7-13-5-8-14-9-6-13/h3-4,13-14H,1-2,5-12H2
InChIKeyOHPCRBSNXBLJCT-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.05
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 N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine (CID 22309090) is N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCC1CCNCC1.
What is the InChIKey of N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is OHPCRBSNXBLJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-10-15(11-4-2)12-7-13-5-8-14-9-6-13/h3-4,13-14H,1-2,5-12H2.
What are the key properties of N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine?
N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 22309090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).