2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride

C15H24BrCl2N3O2 — CID 119891186

IUPAC2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O2.2ClH/c16-12-1-3-14(4-2-12)21-10-9-19-7-5-13(6-8-19)18-15(20)11-17;;/h1-4,13H,5-11,17H2,(H,18,20);2*1H
InChIKeyHSMYNELLSZXLRR-UHFFFAOYSA-N
MW429.19 g/mol
LogP2.21
Rot. Bonds6

About 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride

2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 119891186) has the molecular formula C15H24BrCl2N3O2 and a molecular weight of 429.19 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
PubChem CID119891186
Molecular FormulaC15H24BrCl2N3O2
Molecular Weight429.19 g/mol
Exact Mass427.04
IUPAC Name2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrN3O2.2ClH/c16-12-1-3-14(4-2-12)21-10-9-19-7-5-13(6-8-19)18-15(20)11-17;;/h1-4,13H,5-11,17H2,(H,18,20);2*1H
InChIKeyHSMYNELLSZXLRR-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.19
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119891176
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide
CID 119891321
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride (CID 119891186) is 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride is Cl.Cl.NCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
The InChIKey is HSMYNELLSZXLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2.2ClH/c16-12-1-3-14(4-2-12)21-10-9-19-7-5-13(6-8-19)18-15(20)11-17;;/h1-4,13H,5-11,17H2,(H,18,20);2*1H.
What are the key properties of 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride?
2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 429.19 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119891186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).