bis[4-(2-fluorophenyl)piperidin-1-yl]methanone

C23H26F2N2O — CID 174617068

IUPACbis[4-(2-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2ccccc2F)CC1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C23H26F2N2O/c24-21-7-3-1-5-19(21)17-9-13-26(14-10-17)23(28)27-15-11-18(12-16-27)20-6-2-4-8-22(20)25/h1-8,17-18H,9-16H2
InChIKeyZBNAAGNPICHDJT-UHFFFAOYSA-N
MW384.47 g/mol
LogP5.14
Rot. Bonds2

About bis[4-(2-fluorophenyl)piperidin-1-yl]methanone

bis[4-(2-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 174617068) has the molecular formula C23H26F2N2O and a molecular weight of 384.47 g/mol. Its IUPAC name is bis[4-(2-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(2-fluorophenyl)piperidin-1-yl]methanone
PubChem CID174617068
Molecular FormulaC23H26F2N2O
Molecular Weight384.47 g/mol
Exact Mass384.20
IUPAC Namebis[4-(2-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2ccccc2F)CC1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C23H26F2N2O/c24-21-7-3-1-5-19(21)17-9-13-26(14-10-17)23(28)27-15-11-18(12-16-27)20-6-2-4-8-22(20)25/h1-8,17-18H,9-16H2
InChIKeyZBNAAGNPICHDJT-UHFFFAOYSA-N
XLogP5.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076
4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 102560004
1-cyclopentyl-2-fluorobenzene
CID 53415938
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 140539199
tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
CID 156798736
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
1-[4-(2-fluorophenyl)piperidin-1-yl]ethanethiol
CID 163988464
1-ethyl-4-[2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 97268997
tert-butyl 3-[[4-(2-fluorophenyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 21187676
4-[3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-8-yl]piperidine-1-carboxylic acid
CID 167433935

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of bis[4-(2-fluorophenyl)piperidin-1-yl]methanone (CID 174617068) is bis[4-(2-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for bis[4-(2-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for bis[4-(2-fluorophenyl)piperidin-1-yl]methanone is O=C(N1CCC(c2ccccc2F)CC1)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of bis[4-(2-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is ZBNAAGNPICHDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O/c24-21-7-3-1-5-19(21)17-9-13-26(14-10-17)23(28)27-15-11-18(12-16-27)20-6-2-4-8-22(20)25/h1-8,17-18H,9-16H2.
What are the key properties of bis[4-(2-fluorophenyl)piperidin-1-yl]methanone?
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 384.47 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 174617068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).