[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone

C22H26FN3O — CID 17152277

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-6-8-21(9-7-19)25-14-16-26(17-15-25)22(27)18-10-12-24(13-11-18)20-4-2-1-3-5-20/h1-9,18H,10-17H2
InChIKeyNIKITTDURCOVCA-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.39
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone (PubChem CID 17152277) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
PubChem CID17152277
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-6-8-21(9-7-19)25-14-16-26(17-15-25)22(27)18-10-12-24(13-11-18)20-4-2-1-3-5-20/h1-9,18H,10-17H2
InChIKeyNIKITTDURCOVCA-UHFFFAOYSA-N
XLogP3.39
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 20889387
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
(1S,2S,3R,4R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 7045423
(1R,2S,3S,4R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124579431
(1S,2R,3S,4R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11879929
(1R,2S,3S,4R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557508

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone (CID 17152277) is [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone?
The InChIKey is NIKITTDURCOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-6-8-21(9-7-19)25-14-16-26(17-15-25)22(27)18-10-12-24(13-11-18)20-4-2-1-3-5-20/h1-9,18H,10-17H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 17152277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).