1-(1-phenylethenyl)-4-propan-2-ylpiperazine

C15H22N2 — CID 122606078

IUPAC1-(1-phenylethenyl)-4-propan-2-ylpiperazine
SMILESC=C(c1ccccc1)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H22N2/c1-13(2)16-9-11-17(12-10-16)14(3)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyKHPNDXZYUPLQQQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.68
Rot. Bonds3

About 1-(1-phenylethenyl)-4-propan-2-ylpiperazine

1-(1-phenylethenyl)-4-propan-2-ylpiperazine (PubChem CID 122606078) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(1-phenylethenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-phenylethenyl)-4-propan-2-ylpiperazine
PubChem CID122606078
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(1-phenylethenyl)-4-propan-2-ylpiperazine
SMILESC=C(c1ccccc1)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H22N2/c1-13(2)16-9-11-17(12-10-16)14(3)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKeyKHPNDXZYUPLQQQ-UHFFFAOYSA-N
XLogP2.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethenyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(1-phenylethenyl)-4-propan-2-ylpiperazine (CID 122606078) is 1-(1-phenylethenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-phenylethenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-phenylethenyl)-4-propan-2-ylpiperazine is C=C(c1ccccc1)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(1-phenylethenyl)-4-propan-2-ylpiperazine?
The InChIKey is KHPNDXZYUPLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13(2)16-9-11-17(12-10-16)14(3)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of 1-(1-phenylethenyl)-4-propan-2-ylpiperazine?
1-(1-phenylethenyl)-4-propan-2-ylpiperazine has a molecular weight of 230.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 122606078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).