1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine

C17H29BrN2S — CID 79052191

IUPAC1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Br)cs1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H29BrN2S/c1-4-8-19-16(12-15-11-14(18)13-21-15)17(2,3)20-9-6-5-7-10-20/h11,13,16,19H,4-10,12H2,1-3H3
InChIKeyWSWIVFGTBINDIE-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.69
Rot. Bonds7

About 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine

1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine (PubChem CID 79052191) has the molecular formula C17H29BrN2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
PubChem CID79052191
Molecular FormulaC17H29BrN2S
Molecular Weight373.40 g/mol
Exact Mass372.12
IUPAC Name1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Br)cs1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H29BrN2S/c1-4-8-19-16(12-15-11-14(18)13-21-15)17(2,3)20-9-6-5-7-10-20/h11,13,16,19H,4-10,12H2,1-3H3
InChIKeyWSWIVFGTBINDIE-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79045309
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051436
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79067815
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847651
1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79602355

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine (CID 79052191) is 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine is CCCNC(Cc1cc(Br)cs1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine?
The InChIKey is WSWIVFGTBINDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2S/c1-4-8-19-16(12-15-11-14(18)13-21-15)17(2,3)20-9-6-5-7-10-20/h11,13,16,19H,4-10,12H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine?
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine has a molecular weight of 373.40 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine is sourced from PubChem (CID 79052191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).