(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol

C28H37N3O — CID 167028412

IUPAC(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol
SMILESCN1CCN(C2CC=C(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C28H37N3O/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22/h2-4,6-7,9-11,13-14,26,32H,5,8,12,15-21,29H2,1H3/b28-27-
InChIKeyPYXVDVXSAJDJRN-DQSJHHFOSA-N
MW431.62 g/mol
LogP4.68
Rot. Bonds7

About (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol

(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol (PubChem CID 167028412) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol
PubChem CID167028412
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol
SMILESCN1CCN(C2CC=C(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C28H37N3O/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22/h2-4,6-7,9-11,13-14,26,32H,5,8,12,15-21,29H2,1H3/b28-27-
InChIKeyPYXVDVXSAJDJRN-DQSJHHFOSA-N
XLogP4.68
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-4-en-1-ol
CID 138657716
5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol
CID 176732330
4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493121
(Z)-5-(4-aminocyclohexa-2,4-dien-1-yl)-5-[4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]-4-phenylpent-4-en-1-ol
CID 138493068
4-[(Z)-1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]cyclohexa-2,4-dien-1-ol
CID 145430215
4-[(E)-1-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493030
4-[(E)-1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;dihydrochloride
CID 155567147
4-[(E)-1-[4-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493086
4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493073
(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
CID 159115330
4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
CID 155544192
(E)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-[4-(cyclopropylsulfanylamino)phenyl]-4-phenylpent-4-en-1-ol
CID 138614584

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
The IUPAC name of (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol (CID 167028412) is (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol.
What is the SMILES notation for (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
The canonical SMILES for (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol is CN1CCN(C2CC=C(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)CC2)CC1.
What is the InChIKey of (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
The InChIKey is PYXVDVXSAJDJRN-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H37N3O/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22/h2-4,6-7,9-11,13-14,26,32H,5,8,12,15-21,29H2,1H3/b28-27-.
What are the key properties of (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol has a molecular weight of 431.62 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 167028412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).