[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone

C15H22N2O4 — CID 79736339

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H22N2O4/c16-6-1-9-21-12-4-7-17(8-5-12)15(20)13-3-2-11(18)10-14(13)19/h2-3,10,12,18-19H,1,4-9,16H2
InChIKeyJDFSQJKKPQCVER-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.07
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 79736339) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID79736339
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H22N2O4/c16-6-1-9-21-12-4-7-17(8-5-12)15(20)13-3-2-11(18)10-14(13)19/h2-3,10,12,18-19H,1,4-9,16H2
InChIKeyJDFSQJKKPQCVER-UHFFFAOYSA-N
XLogP1.07
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-fluoro-4-hydroxyphenyl)methanone
CID 107677184
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807747
[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-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119664069
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119664331
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone
CID 119663065
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954
[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
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119664011

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 79736339) is [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone is NCCCOC1CCN(C(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is JDFSQJKKPQCVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c16-6-1-9-21-12-4-7-17(8-5-12)15(20)13-3-2-11(18)10-14(13)19/h2-3,10,12,18-19H,1,4-9,16H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 79736339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).