1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one

C22H27FN2O — CID 166689497

IUPAC1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)C1(c2cccc(F)c2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-24(2)22(19-9-6-10-20(23)17-19)13-15-25(16-14-22)21(26)12-11-18-7-4-3-5-8-18/h3-10,17H,11-16H2,1-2H3
InChIKeyMWOVTEGIKILZPB-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.84
Rot. Bonds5

About 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one

1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 166689497) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID166689497
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)C1(c2cccc(F)c2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O/c1-24(2)22(19-9-6-10-20(23)17-19)13-15-25(16-14-22)21(26)12-11-18-7-4-3-5-8-18/h3-10,17H,11-16H2,1-2H3
InChIKeyMWOVTEGIKILZPB-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549
1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-2-(methylaminomethyl)-3-phenylbutan-1-one
CID 166680199
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 110798353
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866857
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 23600333
1-(4-benzoyl-1,4-diazepan-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 110798188
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56566659

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 166689497) is 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one is CN(C)C1(c2cccc(F)c2)CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is MWOVTEGIKILZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-24(2)22(19-9-6-10-20(23)17-19)13-15-25(16-14-22)21(26)12-11-18-7-4-3-5-8-18/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 354.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 166689497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).