1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine

C13H24N2 — CID 170195595

IUPAC1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine
SMILESC=C(N1CCN(C(C)C)CC1)C1(C)CC1
InChIInChI=1S/C13H24N2/c1-11(2)14-7-9-15(10-8-14)12(3)13(4)5-6-13/h11H,3,5-10H2,1-2,4H3
InChIKeyWYJJTDAVKGMKPH-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine

1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine (PubChem CID 170195595) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine
PubChem CID170195595
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine
SMILESC=C(N1CCN(C(C)C)CC1)C1(C)CC1
InChIInChI=1S/C13H24N2/c1-11(2)14-7-9-15(10-8-14)12(3)13(4)5-6-13/h11H,3,5-10H2,1-2,4H3
InChIKeyWYJJTDAVKGMKPH-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine (CID 170195595) is 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine is C=C(N1CCN(C(C)C)CC1)C1(C)CC1.
What is the InChIKey of 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
The InChIKey is WYJJTDAVKGMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)14-7-9-15(10-8-14)12(3)13(4)5-6-13/h11H,3,5-10H2,1-2,4H3.
What are the key properties of 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine?
1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylcyclopropyl)ethenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170195595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).