1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine

C18H26N2S — CID 64840548

IUPAC1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2csc3ccccc23)C(C)(C)CN1
InChIInChI=1S/C18H26N2S/c1-4-7-15-11-20(18(2,3)13-19-15)10-14-12-21-17-9-6-5-8-16(14)17/h5-6,8-9,12,15,19H,4,7,10-11,13H2,1-3H3
InChIKeySEAKBMDNBAWNTH-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.25
Rot. Bonds4

About 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine

1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine (PubChem CID 64840548) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
PubChem CID64840548
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2csc3ccccc23)C(C)(C)CN1
InChIInChI=1S/C18H26N2S/c1-4-7-15-11-20(18(2,3)13-19-15)10-14-12-21-17-9-6-5-8-16(14)17/h5-6,8-9,12,15,19H,4,7,10-11,13H2,1-3H3
InChIKeySEAKBMDNBAWNTH-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
CID 64832605
1-(1-benzothiophen-3-ylmethyl)-3-propyl-1,4-diazepane
CID 64871472
1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine
CID 64838953
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64839775
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
CID 79451537
1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine
CID 64844515
1-(1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepan-2-one
CID 63736749
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840082
1-(1-benzothiophen-3-ylmethyl)-4-bromo-3,3-dimethylpiperidine
CID 112747313
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
1-(1-benzothiophen-3-ylmethyl)-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64869863

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine (CID 64840548) is 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine is CCCC1CN(Cc2csc3ccccc23)C(C)(C)CN1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine?
The InChIKey is SEAKBMDNBAWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-7-15-11-20(18(2,3)13-19-15)10-14-12-21-17-9-6-5-8-16(14)17/h5-6,8-9,12,15,19H,4,7,10-11,13H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine?
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine has a molecular weight of 302.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine is sourced from PubChem (CID 64840548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).