[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone

C15H20BrClN2O2 — CID 103807747

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H20BrClN2O2/c16-14-10-11(17)2-3-13(14)15(20)19-7-4-12(5-8-19)21-9-1-6-18/h2-3,10,12H,1,4-9,18H2
InChIKeyLEWOOOWXUUYEMD-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.07
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone (PubChem CID 103807747) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
PubChem CID103807747
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H20BrClN2O2/c16-14-10-11(17)2-3-13(14)15(20)19-7-4-12(5-8-19)21-9-1-6-18/h2-3,10,12H,1,4-9,18H2
InChIKeyLEWOOOWXUUYEMD-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.07
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]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119664069
[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]-(2,4-dihydroxyphenyl)methanone
CID 79736339
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119661509
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
[4-(3-aminopropoxy)piperidin-1-yl]-(4-bromo-2-nitrophenyl)methanone;hydrochloride
CID 119661870
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119661511
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone (CID 103807747) is [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone is NCCCOC1CCN(C(=O)c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone?
The InChIKey is LEWOOOWXUUYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c16-14-10-11(17)2-3-13(14)15(20)19-7-4-12(5-8-19)21-9-1-6-18/h2-3,10,12H,1,4-9,18H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone has a molecular weight of 375.69 g/mol, XLogP of 3.07, 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]-(2-bromo-4-chlorophenyl)methanone is sourced from PubChem (CID 103807747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).