5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine

C18H28N2 — CID 64931158

IUPAC5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(C2CC2)CN1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2/c1-4-16-11-19-18(15-5-6-15)12-20(16)17-9-7-14(8-10-17)13(2)3/h7-10,13,15-16,18-19H,4-6,11-12H2,1-3H3
InChIKeyWIRSJKXRBUGFLY-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.78
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine

5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine (PubChem CID 64931158) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
PubChem CID64931158
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(C2CC2)CN1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2/c1-4-16-11-19-18(15-5-6-15)12-20(16)17-9-7-14(8-10-17)13(2)3/h7-10,13,15-16,18-19H,4-6,11-12H2,1-3H3
InChIKeyWIRSJKXRBUGFLY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
CID 64933251
1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
CID 64934243
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66244508
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
CID 64946841
5-cyclopropyl-2-ethyl-1-naphthalen-1-ylpiperazine
CID 64931553
5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
CID 64940762
2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64930564
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 64933898
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine (CID 64931158) is 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine is CCC1CNC(C2CC2)CN1c1ccc(C(C)C)cc1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine?
The InChIKey is WIRSJKXRBUGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-16-11-19-18(15-5-6-15)12-20(16)17-9-7-14(8-10-17)13(2)3/h7-10,13,15-16,18-19H,4-6,11-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine?
5-cyclopropyl-2-ethyl-1-(4-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-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 64931158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).