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

C12H22N2 — CID 16768074

IUPACN-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCNCC1
InChIInChI=1S/C12H22N2/c1-3-9-14(10-4-2)11-12-5-7-13-8-6-12/h3-4,12-13H,1-2,5-11H2
InChIKeyLFUILODWQYVZIL-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.66
Rot. Bonds6

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

N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 16768074) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID16768074
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCNCC1
InChIInChI=1S/C12H22N2/c1-3-9-14(10-4-2)11-12-5-7-13-8-6-12/h3-4,12-13H,1-2,5-11H2
InChIKeyLFUILODWQYVZIL-UHFFFAOYSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.66
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-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (CID 16768074) is N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is LFUILODWQYVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-9-14(10-4-2)11-12-5-7-13-8-6-12/h3-4,12-13H,1-2,5-11H2.
What are the key properties of N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 16768074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).