1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine

C25H34N2O2 — CID 126671889

IUPAC1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine
SMILESCOc1cc(-c2ccc(COC3CCCC3)cc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C25H34N2O2/c1-26-13-15-27(16-14-26)18-23-12-11-22(17-25(23)28-2)21-9-7-20(8-10-21)19-29-24-5-3-4-6-24/h7-12,17,24H,3-6,13-16,18-19H2,1-2H3
InChIKeyTYXWEXPMWOBPOO-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.57
Rot. Bonds7

About 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine

1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine (PubChem CID 126671889) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine
PubChem CID126671889
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine
SMILESCOc1cc(-c2ccc(COC3CCCC3)cc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C25H34N2O2/c1-26-13-15-27(16-14-26)18-23-12-11-22(17-25(23)28-2)21-9-7-20(8-10-21)19-29-24-5-3-4-6-24/h7-12,17,24H,3-6,13-16,18-19H2,1-2H3
InChIKeyTYXWEXPMWOBPOO-UHFFFAOYSA-N
XLogP4.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]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-methyl-4-[[4-[4-[(1-methylpyrrolidin-3-yl)oxymethyl]phenyl]-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 126675733
N-[[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 84746066
1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperidin-4-ol
CID 126674939
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[(2-methoxy-4-nitrophenyl)methyl]-4-methylpiperazine
CID 57421477
2-[4-[[3-chloro-4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
CID 126675607
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methanol
CID 126675322
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 51119412
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
CID 145269236

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine (CID 126671889) is 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine is COc1cc(-c2ccc(COC3CCCC3)cc2)ccc1CN1CCN(C)CC1.
What is the InChIKey of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine?
The InChIKey is TYXWEXPMWOBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-26-13-15-27(16-14-26)18-23-12-11-22(17-25(23)28-2)21-9-7-20(8-10-21)19-29-24-5-3-4-6-24/h7-12,17,24H,3-6,13-16,18-19H2,1-2H3.
What are the key properties of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine?
1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine has a molecular weight of 394.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 126671889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).