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

C13H19BrN2S — CID 54944633

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
SMILESBrc1ccc(CN2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C13H19BrN2S/c14-13-4-3-12(17-13)10-16-7-5-15(6-8-16)9-11-1-2-11/h3-4,11H,1-2,5-10H2
InChIKeyZKCFLTONRVIGEG-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.04
Rot. Bonds4

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

1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 54944633) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
PubChem CID54944633
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
SMILESBrc1ccc(CN2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C13H19BrN2S/c14-13-4-3-12(17-13)10-16-7-5-15(6-8-16)9-11-1-2-11/h3-4,11H,1-2,5-10H2
InChIKeyZKCFLTONRVIGEG-UHFFFAOYSA-N
XLogP3.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine (CID 54944633) is 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine is Brc1ccc(CN2CCN(CC3CC3)CC2)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is ZKCFLTONRVIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c14-13-4-3-12(17-13)10-16-7-5-15(6-8-16)9-11-1-2-11/h3-4,11H,1-2,5-10H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine?
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 315.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 54944633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).