2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride

C14H20BrClFN3O — CID 119909893

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H19BrFN3O.ClH/c15-11-1-2-13(12(16)7-11)18-14(20)9-19-5-3-10(8-17)4-6-19;/h1-2,7,10H,3-6,8-9,17H2,(H,18,20);1H
InChIKeyIRVCGPPECDLTMX-UHFFFAOYSA-N
MW380.69 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride (PubChem CID 119909893) has the molecular formula C14H20BrClFN3O and a molecular weight of 380.69 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
PubChem CID119909893
Molecular FormulaC14H20BrClFN3O
Molecular Weight380.69 g/mol
Exact Mass379.05
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H19BrFN3O.ClH/c15-11-1-2-13(12(16)7-11)18-14(20)9-19-5-3-10(8-17)4-6-19;/h1-2,7,10H,3-6,8-9,17H2,(H,18,20);1H
InChIKeyIRVCGPPECDLTMX-UHFFFAOYSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.69
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119905456
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 11940567
N-(4-bromo-2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62358331
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859
N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104977127
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119909750
2-(4-benzhydrylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4235260
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 120761426
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721076
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride (CID 119909893) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride is Cl.NCC1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride?
The InChIKey is IRVCGPPECDLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O.ClH/c15-11-1-2-13(12(16)7-11)18-14(20)9-19-5-3-10(8-17)4-6-19;/h1-2,7,10H,3-6,8-9,17H2,(H,18,20);1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride has a molecular weight of 380.69 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119909893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).