[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone

C15H21BrN2O2 — CID 79735516

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
SMILESNCCCOC1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O2/c16-13-4-1-3-12(11-13)15(19)18-8-5-14(6-9-18)20-10-2-7-17/h1,3-4,11,14H,2,5-10,17H2
InChIKeySNYOGULSOQBZEX-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.42
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone (PubChem CID 79735516) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
PubChem CID79735516
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
SMILESNCCCOC1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O2/c16-13-4-1-3-12(11-13)15(19)18-8-5-14(6-9-18)20-10-2-7-17/h1,3-4,11,14H,2,5-10,17H2
InChIKeySNYOGULSOQBZEX-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
3-[1-(3-bromobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63871391
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 79736213
[4-(3-aminopropoxy)piperidin-1-yl]-(4-bromo-2-methoxyphenyl)methanone
CID 119663049
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119663964
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 119662009
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone
CID 119662741
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone;hydrochloride
CID 119663088
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807747
[4-(3-aminopropoxy)piperidin-1-yl]-(4-bromo-2-nitrophenyl)methanone;hydrochloride
CID 119661870

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone (CID 79735516) is [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone is NCCCOC1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone?
The InChIKey is SNYOGULSOQBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-13-4-1-3-12(11-13)15(19)18-8-5-14(6-9-18)20-10-2-7-17/h1,3-4,11,14H,2,5-10,17H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone has a molecular weight of 341.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone is sourced from PubChem (CID 79735516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).