1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine

C18H24N2S — CID 3642631

IUPAC1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine
SMILESCc1ccc(CN2CCN(CCc3ccccc3)CC2)s1
InChIInChI=1S/C18H24N2S/c1-16-7-8-18(21-16)15-20-13-11-19(12-14-20)10-9-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyFHFAFJZOPLTZII-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.42
Rot. Bonds5

About 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine

1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine (PubChem CID 3642631) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine
PubChem CID3642631
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine
SMILESCc1ccc(CN2CCN(CCc3ccccc3)CC2)s1
InChIInChI=1S/C18H24N2S/c1-16-7-8-18(21-16)15-20-13-11-19(12-14-20)10-9-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyFHFAFJZOPLTZII-UHFFFAOYSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)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

N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 91833865
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
methane;4-(2-phenylethyl)morpholine
CID 143698819
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 121020761
2-methyl-1-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 162374363
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine (CID 3642631) is 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine is Cc1ccc(CN2CCN(CCc3ccccc3)CC2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine?
The InChIKey is FHFAFJZOPLTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-16-7-8-18(21-16)15-20-13-11-19(12-14-20)10-9-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine?
1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine has a molecular weight of 300.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 3642631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).