1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one

C18H26FNO2 — CID 15839520

IUPAC1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCC(Cc2cc(OC)ccc2F)CC1
InChIInChI=1S/C18H26FNO2/c1-4-13(2)18(21)20-9-7-14(8-10-20)11-15-12-16(22-3)5-6-17(15)19/h5-6,12-14H,4,7-11H2,1-3H3
InChIKeyWFGLPKQPYHLXHZ-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.66
Rot. Bonds5

About 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one

1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one (PubChem CID 15839520) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one
PubChem CID15839520
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCC(Cc2cc(OC)ccc2F)CC1
InChIInChI=1S/C18H26FNO2/c1-4-13(2)18(21)20-9-7-14(8-10-20)11-15-12-16(22-3)5-6-17(15)19/h5-6,12-14H,4,7-11H2,1-3H3
InChIKeyWFGLPKQPYHLXHZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 22400322
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119765862
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331
1-[4-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 167886409
2-[(2-fluorophenyl)methyl]-7-methoxy-N,N-dimethyl-1'-(2-methylbutanoyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1-carboxamide
CID 142475524
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
3-(2-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110298802
(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 95278344
2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 118712050
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one (CID 15839520) is 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCC(Cc2cc(OC)ccc2F)CC1.
What is the InChIKey of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one?
The InChIKey is WFGLPKQPYHLXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-4-13(2)18(21)20-9-7-14(8-10-20)11-15-12-16(22-3)5-6-17(15)19/h5-6,12-14H,4,7-11H2,1-3H3.
What are the key properties of 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one?
1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one has a molecular weight of 307.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 15839520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).