1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine

C13H22BrN3S — CID 79328365

IUPAC1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine
SMILESCN(CCN1CCC(N)CC1)Cc1cc(Br)cs1
InChIInChI=1S/C13H22BrN3S/c1-16(9-13-8-11(14)10-18-13)6-7-17-4-2-12(15)3-5-17/h8,10,12H,2-7,9,15H2,1H3
InChIKeyPKLPLIIEWBSIQF-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.37
Rot. Bonds5

About 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine

1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine (PubChem CID 79328365) has the molecular formula C13H22BrN3S and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine
PubChem CID79328365
Molecular FormulaC13H22BrN3S
Molecular Weight332.31 g/mol
Exact Mass331.07
IUPAC Name1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine
SMILESCN(CCN1CCC(N)CC1)Cc1cc(Br)cs1
InChIInChI=1S/C13H22BrN3S/c1-16(9-13-8-11(14)10-18-13)6-7-17-4-2-12(15)3-5-17/h8,10,12H,2-7,9,15H2,1H3
InChIKeyPKLPLIIEWBSIQF-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458492
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 120774190
3-[(4-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76910166
1-[(4-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677218
2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
CID 79328638
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63864847
1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905113
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240280
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
1-[2-[3-methoxypropyl(methyl)amino]ethyl]piperidin-4-amine
CID 79327540

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine (CID 79328365) is 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine is CN(CCN1CCC(N)CC1)Cc1cc(Br)cs1.
What is the InChIKey of 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine?
The InChIKey is PKLPLIIEWBSIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3S/c1-16(9-13-8-11(14)10-18-13)6-7-17-4-2-12(15)3-5-17/h8,10,12H,2-7,9,15H2,1H3.
What are the key properties of 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine?
1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine has a molecular weight of 332.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]piperidin-4-amine is sourced from PubChem (CID 79328365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).