N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine

C13H21BrN2S — CID 115211660

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
SMILESCN(CCC1CCNCC1)Cc1ccc(Br)s1
InChIInChI=1S/C13H21BrN2S/c1-16(10-12-2-3-13(14)17-12)9-6-11-4-7-15-8-5-11/h2-3,11,15H,4-10H2,1H3
InChIKeyDRPCCGNEKZNNTL-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.33
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine (PubChem CID 115211660) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
PubChem CID115211660
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
SMILESCN(CCC1CCNCC1)Cc1ccc(Br)s1
InChIInChI=1S/C13H21BrN2S/c1-16(10-12-2-3-13(14)17-12)9-6-11-4-7-15-8-5-11/h2-3,11,15H,4-10H2,1H3
InChIKeyDRPCCGNEKZNNTL-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211655
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707515
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62210978
N-ethyl-N-methyl-2-piperidin-4-ylethanamine
CID 43263497
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine (CID 115211660) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine is CN(CCC1CCNCC1)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
The InChIKey is DRPCCGNEKZNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-16(10-12-2-3-13(14)17-12)9-6-11-4-7-15-8-5-11/h2-3,11,15H,4-10H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine has a molecular weight of 317.30 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine is sourced from PubChem (CID 115211660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).