1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine

C19H30N2 — CID 64934243

IUPAC1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
SMILESCCCCc1ccc(N2CC(C3CC3)NCC2CC)cc1
InChIInChI=1S/C19H30N2/c1-3-5-6-15-7-11-18(12-8-15)21-14-19(16-9-10-16)20-13-17(21)4-2/h7-8,11-12,16-17,19-20H,3-6,9-10,13-14H2,1-2H3
InChIKeyKCRQQNHUMFREGI-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.00
Rot. Bonds6

About 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine

1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine (PubChem CID 64934243) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine.

Molecular Properties

Compound Name1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
PubChem CID64934243
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
SMILESCCCCc1ccc(N2CC(C3CC3)NCC2CC)cc1
InChIInChI=1S/C19H30N2/c1-3-5-6-15-7-11-18(12-8-15)21-14-19(16-9-10-16)20-13-17(21)4-2/h7-8,11-12,16-17,19-20H,3-6,9-10,13-14H2,1-2H3
InChIKeyKCRQQNHUMFREGI-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.00
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-(4-propan-2-ylphenyl)piperazine
CID 64931158
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
CID 64946841
5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
CID 64933251
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
CID 64940762
5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine
CID 64946803
2-benzyl-1-butyl-5-cyclopropylpiperazine
CID 64860330
1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 64933898
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79398279
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64934847

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine?
The IUPAC name of 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine (CID 64934243) is 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine.
What is the SMILES notation for 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine?
The canonical SMILES for 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine is CCCCc1ccc(N2CC(C3CC3)NCC2CC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine?
The InChIKey is KCRQQNHUMFREGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-5-6-15-7-11-18(12-8-15)21-14-19(16-9-10-16)20-13-17(21)4-2/h7-8,11-12,16-17,19-20H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine?
1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine is sourced from PubChem (CID 64934243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).