2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol

C17H27BrN2O — CID 107227144

IUPAC2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
SMILESCCC(N)C(c1ccccc1Br)N1CCCC(CCO)C1
InChIInChI=1S/C17H27BrN2O/c1-2-16(19)17(14-7-3-4-8-15(14)18)20-10-5-6-13(12-20)9-11-21/h3-4,7-8,13,16-17,21H,2,5-6,9-12,19H2,1H3
InChIKeyVJVADNXNSQKMPF-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol

2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol (PubChem CID 107227144) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
PubChem CID107227144
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
SMILESCCC(N)C(c1ccccc1Br)N1CCCC(CCO)C1
InChIInChI=1S/C17H27BrN2O/c1-2-16(19)17(14-7-3-4-8-15(14)18)20-10-5-6-13(12-20)9-11-21/h3-4,7-8,13,16-17,21H,2,5-6,9-12,19H2,1H3
InChIKeyVJVADNXNSQKMPF-UHFFFAOYSA-N
XLogP3.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337
2-[1-[2-amino-1-(furan-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227112
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102956189
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797123
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol (CID 107227144) is 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol is CCC(N)C(c1ccccc1Br)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol?
The InChIKey is VJVADNXNSQKMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-2-16(19)17(14-7-3-4-8-15(14)18)20-10-5-6-13(12-20)9-11-21/h3-4,7-8,13,16-17,21H,2,5-6,9-12,19H2,1H3.
What are the key properties of 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol?
2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol has a molecular weight of 355.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).