1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine

C17H28N2 — CID 134548287

IUPAC1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine
SMILESCCCc1cc(CN2CCN(C)CC2)ccc1CC
InChIInChI=1S/C17H28N2/c1-4-6-17-13-15(7-8-16(17)5-2)14-19-11-9-18(3)10-12-19/h7-8,13H,4-6,9-12,14H2,1-3H3
InChIKeyYHJSIJPCEZMWOG-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.95
Rot. Bonds5

About 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine

1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine (PubChem CID 134548287) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine
PubChem CID134548287
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine
SMILESCCCc1cc(CN2CCN(C)CC2)ccc1CC
InChIInChI=1S/C17H28N2/c1-4-6-17-13-15(7-8-16(17)5-2)14-19-11-9-18(3)10-12-19/h7-8,13H,4-6,9-12,14H2,1-3H3
InChIKeyYHJSIJPCEZMWOG-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine 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-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
3-butyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 59835509
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 23145848
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
N-[[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102768820
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine (CID 134548287) is 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine is CCCc1cc(CN2CCN(C)CC2)ccc1CC.
What is the InChIKey of 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine?
The InChIKey is YHJSIJPCEZMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-17-13-15(7-8-16(17)5-2)14-19-11-9-18(3)10-12-19/h7-8,13H,4-6,9-12,14H2,1-3H3.
What are the key properties of 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine?
1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine has a molecular weight of 260.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 134548287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).