2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

C14H23BrN2S — CID 115210070

IUPAC2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCC(C)(CNCC1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-14(2,13-7-12(15)9-18-13)10-17-8-11-3-5-16-6-4-11/h7,9,11,16-17H,3-6,8,10H2,1-2H3
InChIKeyLXODOWWULLALGI-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine

2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 115210070) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID115210070
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCC(C)(CNCC1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-14(2,13-7-12(15)9-18-13)10-17-8-11-3-5-16-6-4-11/h7,9,11,16-17H,3-6,8,10H2,1-2H3
InChIKeyLXODOWWULLALGI-UHFFFAOYSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210084
4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
CID 115149941
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
CID 115197588
3-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135077
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-3-hydroxybutanoic acid
CID 115123172
N-(4-bromothiophen-2-yl)-2-piperidin-4-ylacetamide
CID 115160642
2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133068
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
CID 107582312
4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239967
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine (CID 115210070) is 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is CC(C)(CNCC1CCNCC1)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is LXODOWWULLALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-14(2,13-7-12(15)9-18-13)10-17-8-11-3-5-16-6-4-11/h7,9,11,16-17H,3-6,8,10H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine?
2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 331.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 115210070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).