1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one

C11H18FNO2 — CID 122675589

IUPAC1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESC=C(O)C1(F)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H18FNO2/c1-8(2)10(15)13-6-4-11(12,5-7-13)9(3)14/h8,14H,3-7H2,1-2H3
InChIKeyPGOSVVJYYQGUFN-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.04
Rot. Bonds2

About 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 122675589) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID122675589
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESC=C(O)C1(F)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H18FNO2/c1-8(2)10(15)13-6-4-11(12,5-7-13)9(3)14/h8,14H,3-7H2,1-2H3
InChIKeyPGOSVVJYYQGUFN-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 118217440
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
CID 130891514
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 155953063
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177302310

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one (CID 122675589) is 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one is C=C(O)C1(F)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PGOSVVJYYQGUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8(2)10(15)13-6-4-11(12,5-7-13)9(3)14/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 215.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 122675589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).