2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride

C15H21BrClNO3 — CID 23724247

IUPAC2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride
SMILESCl.O=C(COc1ccc(Br)cc1)OCCN1CCCCC1
InChIInChI=1S/C15H20BrNO3.ClH/c16-13-4-6-14(7-5-13)20-12-15(18)19-11-10-17-8-2-1-3-9-17;/h4-7H,1-3,8-12H2;1H
InChIKeyIASYBNMNFWXXPD-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.28
Rot. Bonds6

About 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride

2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride (PubChem CID 23724247) has the molecular formula C15H21BrClNO3 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride
PubChem CID23724247
Molecular FormulaC15H21BrClNO3
Molecular Weight378.69 g/mol
Exact Mass377.04
IUPAC Name2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride
SMILESCl.O=C(COc1ccc(Br)cc1)OCCN1CCCCC1
InChIInChI=1S/C15H20BrNO3.ClH/c16-13-4-6-14(7-5-13)20-12-15(18)19-11-10-17-8-2-1-3-9-17;/h4-7H,1-3,8-12H2;1H
InChIKeyIASYBNMNFWXXPD-UHFFFAOYSA-N
XLogP3.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
4-[2-(2-Bromophenoxy)ethyl]morpholine oxalate
CID 2847188
[2-(3-Bromophenoxy)ethyl]dimethylamine oxalate
CID 2935427
4-[5-(4-Bromophenoxy)pentyl]morpholine;oxalic acid
CID 16187884
4-[5-(2-Bromophenoxy)pentyl]morpholine
CID 16188843
4-(3-(2-Bromophenoxy)propyl)morpholine
CID 2057833
1-[2-(4-Bromophenoxy)ethyl]piperidine
CID 867195
2-(4-Bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 1357308

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride (CID 23724247) is 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride is Cl.O=C(COc1ccc(Br)cc1)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride?
The InChIKey is IASYBNMNFWXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3.ClH/c16-13-4-6-14(7-5-13)20-12-15(18)19-11-10-17-8-2-1-3-9-17;/h4-7H,1-3,8-12H2;1H.
What are the key properties of 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride?
2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride has a molecular weight of 378.69 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-(4-bromophenoxy)acetate;hydrochloride is sourced from PubChem (CID 23724247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).