2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline

C29H31N3O — CID 10789128

IUPAC2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H31N3O/c1-3-10-25(11-4-1)29(26-12-5-2-6-13-26)33-22-21-31-17-19-32(20-18-31)23-27-16-15-24-9-7-8-14-28(24)30-27/h1-16,29H,17-23H2
InChIKeyOWRMIHVAOORXAD-UHFFFAOYSA-N
MW437.59 g/mol
LogP5.16
Rot. Bonds8

About 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline

2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline (PubChem CID 10789128) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline
PubChem CID10789128
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H31N3O/c1-3-10-25(11-4-1)29(26-12-5-2-6-13-26)33-22-21-31-17-19-32(20-18-31)23-27-16-15-24-9-7-8-14-28(24)30-27/h1-16,29H,17-23H2
InChIKeyOWRMIHVAOORXAD-UHFFFAOYSA-N
XLogP5.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-Dihydro-2-oxazolyl)quinoline
CID 828047
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)-1H-indole
CID 9981761
2-(4-Morpholinophenyl)quinoline
CID 1472976
4-(4-Morpholinyl)-2-phenylquinoline
CID 227776
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-1H-indole
CID 10477510
2-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10504664
3-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10552447
3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-quinoline
CID 10599113
6-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)quinoline
CID 10624311
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
6-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-quinoline
CID 10717844
1-(2-Benzhydryloxy-ethyl)-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10811697

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline (CID 10789128) is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline is c1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline?
The InChIKey is OWRMIHVAOORXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O/c1-3-10-25(11-4-1)29(26-12-5-2-6-13-26)33-22-21-31-17-19-32(20-18-31)23-27-16-15-24-9-7-8-14-28(24)30-27/h1-16,29H,17-23H2.
What are the key properties of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline?
2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline has a molecular weight of 437.59 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 10789128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).