1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine

C17H27BrN2S — CID 64877308

IUPAC1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1Cc1cc(Br)cs1
InChIInChI=1S/C17H27BrN2S/c1-12(2)6-15-8-19-17(3,13-4-5-13)11-20(15)9-16-7-14(18)10-21-16/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3
InChIKeyXBVLDVHPRBCJTM-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.50
Rot. Bonds5

About 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine

1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 64877308) has the molecular formula C17H27BrN2S and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID64877308
Molecular FormulaC17H27BrN2S
Molecular Weight371.39 g/mol
Exact Mass370.11
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1Cc1cc(Br)cs1
InChIInChI=1S/C17H27BrN2S/c1-12(2)6-15-8-19-17(3,13-4-5-13)11-20(15)9-16-7-14(18)10-21-16/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3
InChIKeyXBVLDVHPRBCJTM-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64848118
1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682
1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837942
5-cyclopropyl-1-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64876945
1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 107898076
1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64841899
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64875773
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 104812552
1-cyclohexyl-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 82936865
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 64876915
9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64875648

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine (CID 64877308) is 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C)(C2CC2)CN1Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is XBVLDVHPRBCJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2S/c1-12(2)6-15-8-19-17(3,13-4-5-13)11-20(15)9-16-7-14(18)10-21-16/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 371.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64877308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).