1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine

C28H40N2 — CID 142884806

IUPAC1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine
SMILESC=C(c1cc(CCC)ccc1CC)N1CCN(c2ccc(CCCCC)cc2)CC1
InChIInChI=1S/C28H40N2/c1-5-8-9-11-24-13-16-27(17-14-24)30-20-18-29(19-21-30)23(4)28-22-25(10-6-2)12-15-26(28)7-3/h12-17,22H,4-11,18-21H2,1-3H3
InChIKeyNVWLJOZRCYTQQH-UHFFFAOYSA-N
MW404.64 g/mol
LogP6.73
Rot. Bonds10

About 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine

1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine (PubChem CID 142884806) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine
PubChem CID142884806
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine
SMILESC=C(c1cc(CCC)ccc1CC)N1CCN(c2ccc(CCCCC)cc2)CC1
InChIInChI=1S/C28H40N2/c1-5-8-9-11-24-13-16-27(17-14-24)30-20-18-29(19-21-30)23(4)28-22-25(10-6-2)12-15-26(28)7-3/h12-17,22H,4-11,18-21H2,1-3H3
InChIKeyNVWLJOZRCYTQQH-UHFFFAOYSA-N
XLogP6.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentylphenyl)pyrrolidine
CID 168512151
2-[4-(4-octylphenyl)piperazin-1-yl]acetic acid
CID 46199361
1-(4-heptylphenyl)piperidin-4-one
CID 59549861
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
1-[1-(4-propylphenyl)ethenyl]azetidine
CID 143277850
4-hexyl-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide
CID 3666746
2-ethyl-5-nonylphenol
CID 54394722
4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
CID 59545535
2,5-dipropylbenzoic acid
CID 139904729
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
[6-[4-[4-(4-pentylphenyl)piperazin-1-yl]benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-pentylphenyl)piperazin-1-yl]benzoate
CID 67129481
2-ethyl-4-heptylphenol
CID 58289223

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine?
The IUPAC name of 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine (CID 142884806) is 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine.
What is the SMILES notation for 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine?
The canonical SMILES for 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine is C=C(c1cc(CCC)ccc1CC)N1CCN(c2ccc(CCCCC)cc2)CC1.
What is the InChIKey of 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine?
The InChIKey is NVWLJOZRCYTQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2/c1-5-8-9-11-24-13-16-27(17-14-24)30-20-18-29(19-21-30)23(4)28-22-25(10-6-2)12-15-26(28)7-3/h12-17,22H,4-11,18-21H2,1-3H3.
What are the key properties of 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine?
1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine has a molecular weight of 404.64 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine is sourced from PubChem (CID 142884806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).