4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one

C18H25FN2O — CID 89112815

IUPAC4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one
SMILESCc1cc(N)c(F)cc1C1CCN(C2CCC(=O)CC2)CC1
InChIInChI=1S/C18H25FN2O/c1-12-10-18(20)17(19)11-16(12)13-6-8-21(9-7-13)14-2-4-15(22)5-3-14/h10-11,13-14H,2-9,20H2,1H3
InChIKeyHUSXPHGFDZYUMJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.41
Rot. Bonds2

About 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one

4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one (PubChem CID 89112815) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one
PubChem CID89112815
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one
SMILESCc1cc(N)c(F)cc1C1CCN(C2CCC(=O)CC2)CC1
InChIInChI=1S/C18H25FN2O/c1-12-10-18(20)17(19)11-16(12)13-6-8-21(9-7-13)14-2-4-15(22)5-3-14/h10-11,13-14H,2-9,20H2,1H3
InChIKeyHUSXPHGFDZYUMJ-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one?
The IUPAC name of 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one (CID 89112815) is 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one is Cc1cc(N)c(F)cc1C1CCN(C2CCC(=O)CC2)CC1.
What is the InChIKey of 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one?
The InChIKey is HUSXPHGFDZYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-12-10-18(20)17(19)11-16(12)13-6-8-21(9-7-13)14-2-4-15(22)5-3-14/h10-11,13-14H,2-9,20H2,1H3.
What are the key properties of 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one?
4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one has a molecular weight of 304.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 89112815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).