1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine

C14H18BrN3S — CID 71892472

IUPAC1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1C1CCCN(Cc2csc(Br)c2)C1
InChIInChI=1S/C14H18BrN3S/c1-17-13(4-5-16-17)12-3-2-6-18(9-12)8-11-7-14(15)19-10-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3
InChIKeyMVTPIZOOMROYDD-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.62
Rot. Bonds3

About 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine

1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine (PubChem CID 71892472) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine
PubChem CID71892472
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1C1CCCN(Cc2csc(Br)c2)C1
InChIInChI=1S/C14H18BrN3S/c1-17-13(4-5-16-17)12-3-2-6-18(9-12)8-11-7-14(15)19-10-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3
InChIKeyMVTPIZOOMROYDD-UHFFFAOYSA-N
XLogP3.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine (CID 71892472) is 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine is Cn1nccc1C1CCCN(Cc2csc(Br)c2)C1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
The InChIKey is MVTPIZOOMROYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-17-13(4-5-16-17)12-3-2-6-18(9-12)8-11-7-14(15)19-10-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine?
1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine has a molecular weight of 340.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-3-(2-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 71892472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).