(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

C28H37N3O — CID 138493068

IUPAC(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
SMILESCN1CCN(C2C=CC(/C(=C(/CCCO)c3ccccc3)C3C=CC(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/h2-4,6-7,9,11-15,23,26,32H,5,8,10,16-21,29H2,1H3/b28-27-
InChIKeyXCTUCMLVOCRWBQ-DQSJHHFOSA-N
MW431.62 g/mol
LogP4.13
Rot. Bonds7

About (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

(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 (PubChem CID 138493068) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID138493068
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name(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
SMILESCN1CCN(C2C=CC(/C(=C(/CCCO)c3ccccc3)C3C=CC(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/h2-4,6-7,9,11-15,23,26,32H,5,8,10,16-21,29H2,1H3/b28-27-
InChIKeyXCTUCMLVOCRWBQ-DQSJHHFOSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

4-[(Z)-1-[4-(1-cyclopropylazetidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]cyclohexa-1,5-dien-1-ol
CID 138614647
(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol
CID 167028412
3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)cyclohexa-2,4-dien-1-yl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493139
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)-5-hydroxy-1-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]cyclohexa-1,5-dien-1-yl]-2-phenylpent-1-enyl]phenol
CID 138492991
4-[(E)-5-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493121
(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
[4-(3-phenylbuta-1,3-dien-2-yl)cyclohexa-2,4-dien-1-yl]methanamine
CID 89044109
4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493073
benzoic acid;1,4-dimethylpiperazine
CID 166460840
4-[(Z)-1-[4-[3-[2-(methylamino)ethyl]oxiran-2-yl]cyclohexa-1,5-dien-1-yl]-2-phenylbut-1-enyl]cyclohexa-1,5-dien-1-ol
CID 145309178
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1CCN(C2C=CC(/C(=C(/CCCO)c3ccccc3)C3C=CC(N)=CC3)=CC2)CC1.
What is the InChIKey of (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?
The InChIKey is XCTUCMLVOCRWBQ-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/h2-4,6-7,9,11-15,23,26,32H,5,8,10,16-21,29H2,1H3/b28-27-.
What are the key properties of (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?
(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 has a molecular weight of 431.62 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 138493068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).