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

C16H26BrCl2N3O2 — CID 119891190

IUPAC3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3O2.2ClH/c17-13-1-3-15(4-2-13)22-12-11-20-9-6-14(7-10-20)19-16(21)5-8-18;;/h1-4,14H,5-12,18H2,(H,19,21);2*1H
InChIKeyYQLOLZSNBGDURX-UHFFFAOYSA-N
MW443.21 g/mol
LogP2.60
Rot. Bonds7

About 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride

3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride (PubChem CID 119891190) has the molecular formula C16H26BrCl2N3O2 and a molecular weight of 443.21 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
PubChem CID119891190
Molecular FormulaC16H26BrCl2N3O2
Molecular Weight443.21 g/mol
Exact Mass441.06
IUPAC Name3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3O2.2ClH/c17-13-1-3-15(4-2-13)22-12-11-20-9-6-14(7-10-20)19-16(21)5-8-18;;/h1-4,14H,5-12,18H2,(H,19,21);2*1H
InChIKeyYQLOLZSNBGDURX-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119891186
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
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]piperidin-4-ol
CID 39423005
4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
CID 119899114
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide
CID 119898215
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
CID 86907108
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride (CID 119891190) is 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
The InChIKey is YQLOLZSNBGDURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2.2ClH/c17-13-1-3-15(4-2-13)22-12-11-20-9-6-14(7-10-20)19-16(21)5-8-18;;/h1-4,14H,5-12,18H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride has a molecular weight of 443.21 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119891190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).