1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride

C15H24BrClN2 — CID 119920985

IUPAC1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(C(C)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C15H23BrN2.ClH/c1-11(17)13-7-9-18(10-8-13)12(2)14-3-5-15(16)6-4-14;/h3-6,11-13H,7-10,17H2,1-2H3;1H
InChIKeyVGYFWCYCWFJMLP-UHFFFAOYSA-N
MW347.73 g/mol
LogP3.99
Rot. Bonds3

About 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride

1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119920985) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID119920985
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC Name1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(C(C)c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C15H23BrN2.ClH/c1-11(17)13-7-9-18(10-8-13)12(2)14-3-5-15(16)6-4-14;/h3-6,11-13H,7-10,17H2,1-2H3;1H
InChIKeyVGYFWCYCWFJMLP-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride (CID 119920985) is 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(C(C)c2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is VGYFWCYCWFJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2.ClH/c1-11(17)13-7-9-18(10-8-13)12(2)14-3-5-15(16)6-4-14;/h3-6,11-13H,7-10,17H2,1-2H3;1H.
What are the key properties of 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 347.73 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119920985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).