N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C14H23BrN2S — CID 79714133

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1csc(Br)c1)CC1CCNCC1
InChIInChI=1S/C14H23BrN2S/c1-2-7-17(9-12-3-5-16-6-4-12)10-13-8-14(15)18-11-13/h8,11-12,16H,2-7,9-10H2,1H3
InChIKeyZFHVOYJTZLPVPS-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.72
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79714133) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79714133
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1csc(Br)c1)CC1CCNCC1
InChIInChI=1S/C14H23BrN2S/c1-2-7-17(9-12-3-5-16-6-4-12)10-13-8-14(15)18-11-13/h8,11-12,16H,2-7,9-10H2,1H3
InChIKeyZFHVOYJTZLPVPS-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
4-bromo-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]phenol
CID 107739182
N-[(1-ethylpyrazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714314
methyl 2-[(5-bromothiophen-3-yl)methyl-propylamino]acetate
CID 62011184
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715126
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716481
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
CID 63638010

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79714133) is N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(Cc1csc(Br)c1)CC1CCNCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is ZFHVOYJTZLPVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-2-7-17(9-12-3-5-16-6-4-12)10-13-8-14(15)18-11-13/h8,11-12,16H,2-7,9-10H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 331.32 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79714133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).