[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride

C16H24ClFN2O3 — CID 119664484

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(F)cc1C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-21-15-4-3-12(17)11-14(15)16(20)19-8-5-13(6-9-19)22-10-2-7-18;/h3-4,11,13H,2,5-10,18H2,1H3;1H
InChIKeyVYFBMOMLAKSOOJ-UHFFFAOYSA-N
MW346.83 g/mol
LogP2.23
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride (PubChem CID 119664484) has the molecular formula C16H24ClFN2O3 and a molecular weight of 346.83 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
PubChem CID119664484
Molecular FormulaC16H24ClFN2O3
Molecular Weight346.83 g/mol
Exact Mass346.15
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(F)cc1C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-21-15-4-3-12(17)11-14(15)16(20)19-8-5-13(6-9-19)22-10-2-7-18;/h3-4,11,13H,2,5-10,18H2,1H3;1H
InChIKeyVYFBMOMLAKSOOJ-UHFFFAOYSA-N
XLogP2.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-5-nitrophenyl)methanone;hydrochloride
CID 119664488
[4-(3-aminopropoxy)piperidin-1-yl]-(4-bromo-2-methoxyphenyl)methanone
CID 119663049
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride
CID 119662482
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 119661557
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone
CID 119663065
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 119662738
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 119663992

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride (CID 119664484) is [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride is COc1ccc(F)cc1C(=O)N1CCC(OCCCN)CC1.Cl.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride?
The InChIKey is VYFBMOMLAKSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3.ClH/c1-21-15-4-3-12(17)11-14(15)16(20)19-8-5-13(6-9-19)22-10-2-7-18;/h3-4,11,13H,2,5-10,18H2,1H3;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119664484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).