5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine

C18H28N2 — CID 64933251

IUPAC5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(C2CC2)CN1c1cccc(C(C)C)c1
InChIInChI=1S/C18H28N2/c1-4-16-11-19-18(14-8-9-14)12-20(16)17-7-5-6-15(10-17)13(2)3/h5-7,10,13-14,16,18-19H,4,8-9,11-12H2,1-3H3
InChIKeyIMHPRZXQUBZOOA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.78
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine

5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine (PubChem CID 64933251) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
PubChem CID64933251
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(C2CC2)CN1c1cccc(C(C)C)c1
InChIInChI=1S/C18H28N2/c1-4-16-11-19-18(14-8-9-14)12-20(16)17-7-5-6-15(10-17)13(2)3/h5-7,10,13-14,16,18-19H,4,8-9,11-12H2,1-3H3
InChIKeyIMHPRZXQUBZOOA-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158
2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
CID 64946841
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
5-cyclopropyl-2-ethyl-1-naphthalen-1-ylpiperazine
CID 64931553
1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
CID 64934243
5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
CID 64940762
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538
2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64936332
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine (CID 64933251) is 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine is CCC1CNC(C2CC2)CN1c1cccc(C(C)C)c1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine?
The InChIKey is IMHPRZXQUBZOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-16-11-19-18(14-8-9-14)12-20(16)17-7-5-6-15(10-17)13(2)3/h5-7,10,13-14,16,18-19H,4,8-9,11-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine?
5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 64933251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).