3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate

C23H30N2O3 — CID 134094564

IUPAC3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate
SMILESCc1ccccc1C(O)(C(=O)OCCCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-19-9-6-7-12-21(19)23(27,20-10-4-3-5-11-20)22(26)28-18-8-13-25-16-14-24(2)15-17-25/h3-7,9-12,27H,8,13-18H2,1-2H3
InChIKeyIUJYAELZRPTZGA-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.41
Rot. Bonds7

About 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate

3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate (PubChem CID 134094564) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate
PubChem CID134094564
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate
SMILESCc1ccccc1C(O)(C(=O)OCCCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-19-9-6-7-12-21(19)23(27,20-10-4-3-5-11-20)22(26)28-18-8-13-25-16-14-24(2)15-17-25/h3-7,9-12,27H,8,13-18H2,1-2H3
InChIKeyIUJYAELZRPTZGA-UHFFFAOYSA-N
XLogP2.41
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate 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

3-(4-methyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
CID 134109617
2-(4-methylpiperazin-1-yl)ethyl 2-(3-chlorophenyl)-2-hydroxy-2-phenylacetate;dihydrochloride
CID 134123095
3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl 2-hydroxy-2,2-diphenylacetate
CID 12853577
3-[4-(3-benzoyloxypropyl)piperazin-1-yl]propyl benzoate
CID 50896875
1-methyl-4-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]piperazine;oxalic acid
CID 16614206
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2-hydroxy-2,2-diphenylacetate
CID 9499124
propyl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91501228
3-(2,3-dimethylimidazol-3-ium-1-yl)propyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
CID 87437446
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
3-(4-methylpiperazin-1-yl)propyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;dihydrochloride
CID 134119198

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate (CID 134094564) is 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate is Cc1ccccc1C(O)(C(=O)OCCCN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate?
The InChIKey is IUJYAELZRPTZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-19-9-6-7-12-21(19)23(27,20-10-4-3-5-11-20)22(26)28-18-8-13-25-16-14-24(2)15-17-25/h3-7,9-12,27H,8,13-18H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate?
3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate has a molecular weight of 382.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propyl 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate is sourced from PubChem (CID 134094564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).