1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine

C22H37N3O — CID 170863628

IUPAC1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
SMILESCCOc1ccc(CCCN2CCN(C)CC2)cc1CN1CCCCC1
InChIInChI=1S/C22H37N3O/c1-3-26-22-10-9-20(8-7-13-24-16-14-23(2)15-17-24)18-21(22)19-25-11-5-4-6-12-25/h9-10,18H,3-8,11-17,19H2,1-2H3
InChIKeyJKLVQTDJARYLFR-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.25
Rot. Bonds8

About 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine

1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine (PubChem CID 170863628) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
PubChem CID170863628
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
SMILESCCOc1ccc(CCCN2CCN(C)CC2)cc1CN1CCCCC1
InChIInChI=1S/C22H37N3O/c1-3-26-22-10-9-20(8-7-13-24-16-14-23(2)15-17-24)18-21(22)19-25-11-5-4-6-12-25/h9-10,18H,3-8,11-17,19H2,1-2H3
InChIKeyJKLVQTDJARYLFR-UHFFFAOYSA-N
XLogP3.25
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-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-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine
CID 170868003
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
CID 170863849
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
1-methyl-4-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-diazepane
CID 170863358
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine (CID 170863628) is 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine is CCOc1ccc(CCCN2CCN(C)CC2)cc1CN1CCCCC1.
What is the InChIKey of 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine?
The InChIKey is JKLVQTDJARYLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-3-26-22-10-9-20(8-7-13-24-16-14-23(2)15-17-24)18-21(22)19-25-11-5-4-6-12-25/h9-10,18H,3-8,11-17,19H2,1-2H3.
What are the key properties of 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine?
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine has a molecular weight of 359.56 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).