1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine

C12H24N2 — CID 58171916

IUPAC1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2/c1-11(2)14-8-6-13(7-9-14)10-12(3,4)5/h1,6-10H2,2-5H3
InChIKeyYGGUPSSUQVIQDG-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.18
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine

1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine (PubChem CID 58171916) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine
PubChem CID58171916
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2/c1-11(2)14-8-6-13(7-9-14)10-12(3,4)5/h1,6-10H2,2-5H3
InChIKeyYGGUPSSUQVIQDG-UHFFFAOYSA-N
XLogP2.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine (CID 58171916) is 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is YGGUPSSUQVIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)14-8-6-13(7-9-14)10-12(3,4)5/h1,6-10H2,2-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 58171916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).