1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine

C15H24N2O — CID 117374507

IUPAC1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)cc(C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-12(2)14-8-13(9-15(10-14)18-3)11-17-6-4-16-5-7-17/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyMRARXNKJLDWMSR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds4

About 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine

1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine (PubChem CID 117374507) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
PubChem CID117374507
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)cc(C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-12(2)14-8-13(9-15(10-14)18-3)11-17-6-4-16-5-7-17/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyMRARXNKJLDWMSR-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine 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

1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
1-[(5-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83890066
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117368977
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
2-(3-methoxy-5-propan-2-ylphenyl)ethanol
CID 71373713
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
1-[(3-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390262
1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 84780252

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine (CID 117374507) is 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine is COc1cc(CN2CCNCC2)cc(C(C)C)c1.
What is the InChIKey of 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is MRARXNKJLDWMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)14-8-13(9-15(10-14)18-3)11-17-6-4-16-5-7-17/h8-10,12,16H,4-7,11H2,1-3H3.
What are the key properties of 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine?
1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 117374507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).