1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine

C14H21BrN2S — CID 63255802

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESBrc1ccc(CN2CCC(C3CCCN3)CC2)s1
InChIInChI=1S/C14H21BrN2S/c15-14-4-3-12(18-14)10-17-8-5-11(6-9-17)13-2-1-7-16-13/h3-4,11,13,16H,1-2,5-10H2
InChIKeyQGJPHYMBZPWXCD-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.47
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine

1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine (PubChem CID 63255802) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine
PubChem CID63255802
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESBrc1ccc(CN2CCC(C3CCCN3)CC2)s1
InChIInChI=1S/C14H21BrN2S/c15-14-4-3-12(18-14)10-17-8-5-11(6-9-17)13-2-1-7-16-13/h3-4,11,13,16H,1-2,5-10H2
InChIKeyQGJPHYMBZPWXCD-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273179
1-[(2-methylpyrazol-3-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255576
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
1-[(5-bromothiophen-2-yl)methyl]-3-phenyl-1,4-diazepane
CID 64857076
1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine
CID 63256117
2-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79608935
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
CID 115688536
1-[(5-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219165
1-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylazepane
CID 65282791
1-[(4,5-dibromofuran-2-yl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 62085592

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine (CID 63255802) is 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine is Brc1ccc(CN2CCC(C3CCCN3)CC2)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
The InChIKey is QGJPHYMBZPWXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c15-14-4-3-12(18-14)10-17-8-5-11(6-9-17)13-2-1-7-16-13/h3-4,11,13,16H,1-2,5-10H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine?
1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine has a molecular weight of 329.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63255802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).