N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine

C14H23BrN2S — CID 43768298

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCCC1)c1sccc1Br
InChIInChI=1S/C14H23BrN2S/c1-12(14-13(15)6-11-18-14)16-7-5-10-17-8-3-2-4-9-17/h6,11-12,16H,2-5,7-10H2,1H3
InChIKeyUUTACTHFGDQPJS-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 43768298) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID43768298
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCCC1)c1sccc1Br
InChIInChI=1S/C14H23BrN2S/c1-12(14-13(15)6-11-18-14)16-7-5-10-17-8-3-2-4-9-17/h6,11-12,16H,2-5,7-10H2,1H3
InChIKeyUUTACTHFGDQPJS-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 115890816
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43768380
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43771631
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327100
N-[1-(3-bromothiophen-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763214
6-[1-(3-bromothiophen-2-yl)ethylamino]hexan-3-ol
CID 115891853
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine (CID 43768298) is N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine is CC(NCCCN1CCCCC1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is UUTACTHFGDQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-12(14-13(15)6-11-18-14)16-7-5-10-17-8-3-2-4-9-17/h6,11-12,16H,2-5,7-10H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 331.32 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 43768298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).