1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol

C15H23BrN2O — CID 55016025

IUPAC1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H23BrN2O/c1-2-14(17)15(11-5-7-12(16)8-6-11)18-9-3-4-13(19)10-18/h5-8,13-15,19H,2-4,9-10,17H2,1H3
InChIKeyAYTVWMQTBQDTFF-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol

1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol (PubChem CID 55016025) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
PubChem CID55016025
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H23BrN2O/c1-2-14(17)15(11-5-7-12(16)8-6-11)18-9-3-4-13(19)10-18/h5-8,13-15,19H,2-4,9-10,17H2,1H3
InChIKeyAYTVWMQTBQDTFF-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol (CID 55016025) is 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol is CCC(N)C(c1ccc(Br)cc1)N1CCCC(O)C1.
What is the InChIKey of 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol?
The InChIKey is AYTVWMQTBQDTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-14(17)15(11-5-7-12(16)8-6-11)18-9-3-4-13(19)10-18/h5-8,13-15,19H,2-4,9-10,17H2,1H3.
What are the key properties of 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol?
1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol has a molecular weight of 327.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol is sourced from PubChem (CID 55016025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).