N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C15H25BrN2S — CID 107355089

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)c1cc(Br)cs1
InChIInChI=1S/C15H25BrN2S/c1-11(2)18(9-14-6-4-5-7-17-14)12(3)15-8-13(16)10-19-15/h8,10-12,14,17H,4-7,9H2,1-3H3
InChIKeyBBODCBUFKSCJFO-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.42
Rot. Bonds5

About N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 107355089) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID107355089
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)C(C)c1cc(Br)cs1
InChIInChI=1S/C15H25BrN2S/c1-11(2)18(9-14-6-4-5-7-17-14)12(3)15-8-13(16)10-19-15/h8,10-12,14,17H,4-7,9H2,1-3H3
InChIKeyBBODCBUFKSCJFO-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 107355080
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622163
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622235
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426
3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
CID 107720853
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603186
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
2-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106603167
4-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 106602925

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 107355089) is N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(CC1CCCCN1)C(C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is BBODCBUFKSCJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-11(2)18(9-14-6-4-5-7-17-14)12(3)15-8-13(16)10-19-15/h8,10-12,14,17H,4-7,9H2,1-3H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 345.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 107355089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).