2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol

C25H34N4O — CID 91073273

IUPAC2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol
SMILESCN1CCC(N2CCN(/C(CO)=N/C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H34N4O/c1-27-14-12-23(13-15-27)28-16-18-29(19-17-28)24(20-30)26-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23,25,30H,12-20H2,1H3/b26-24+
InChIKeyJQGFSMQNDGDLLS-SHHOIMCASA-N
MW406.57 g/mol
LogP2.88
Rot. Bonds5

About 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol

2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 91073273) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol
PubChem CID91073273
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol
SMILESCN1CCC(N2CCN(/C(CO)=N/C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H34N4O/c1-27-14-12-23(13-15-27)28-16-18-29(19-17-28)24(20-30)26-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23,25,30H,12-20H2,1H3/b26-24+
InChIKeyJQGFSMQNDGDLLS-SHHOIMCASA-N
XLogP2.88
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol (CID 91073273) is 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol is CN1CCC(N2CCN(/C(CO)=N/C(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is JQGFSMQNDGDLLS-SHHOIMCASA-N. The full InChI is InChI=1S/C25H34N4O/c1-27-14-12-23(13-15-27)28-16-18-29(19-17-28)24(20-30)26-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23,25,30H,12-20H2,1H3/b26-24+.
What are the key properties of 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol?
2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 406.57 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylimino-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 91073273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).