1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol

C14H23BrN2OS — CID 114677962

IUPAC1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol
SMILESCCC(N)C(c1ccc(Br)s1)N1CCC(O)C(C)C1
InChIInChI=1S/C14H23BrN2OS/c1-3-10(16)14(12-4-5-13(15)19-12)17-7-6-11(18)9(2)8-17/h4-5,9-11,14,18H,3,6-8,16H2,1-2H3
InChIKeyAFDABGYTCNCBMP-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol

1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol (PubChem CID 114677962) has the molecular formula C14H23BrN2OS and a molecular weight of 347.32 g/mol. Its IUPAC name is 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol
PubChem CID114677962
Molecular FormulaC14H23BrN2OS
Molecular Weight347.32 g/mol
Exact Mass346.07
IUPAC Name1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol
SMILESCCC(N)C(c1ccc(Br)s1)N1CCC(O)C(C)C1
InChIInChI=1S/C14H23BrN2OS/c1-3-10(16)14(12-4-5-13(15)19-12)17-7-6-11(18)9(2)8-17/h4-5,9-11,14,18H,3,6-8,16H2,1-2H3
InChIKeyAFDABGYTCNCBMP-UHFFFAOYSA-N
XLogP2.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-1-(4,4-dimethylazepan-1-yl)butan-2-amine
CID 65283675
1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol
CID 62941141
2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797123
1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
CID 62773231
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
1-(5-bromothiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
CID 66392648
N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide
CID 102736048
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 62128375
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol (CID 114677962) is 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol is CCC(N)C(c1ccc(Br)s1)N1CCC(O)C(C)C1.
What is the InChIKey of 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol?
The InChIKey is AFDABGYTCNCBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS/c1-3-10(16)14(12-4-5-13(15)19-12)17-7-6-11(18)9(2)8-17/h4-5,9-11,14,18H,3,6-8,16H2,1-2H3.
What are the key properties of 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol?
1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol has a molecular weight of 347.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).