[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone

C18H26FN3O2 — CID 120639402

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
SMILESCOCC1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CCNCC1
InChIInChI=1S/C18H26FN3O2/c1-24-14-18(6-8-20-9-7-18)17(23)22-12-10-21(11-13-22)16-4-2-15(19)3-5-16/h2-5,20H,6-14H2,1H3
InChIKeyXCGKUGYLVLNZEX-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.49
Rot. Bonds4

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

[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone (PubChem CID 120639402) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
PubChem CID120639402
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
SMILESCOCC1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CCNCC1
InChIInChI=1S/C18H26FN3O2/c1-24-14-18(6-8-20-9-7-18)17(23)22-12-10-21(11-13-22)16-4-2-15(19)3-5-16/h2-5,20H,6-14H2,1H3
InChIKeyXCGKUGYLVLNZEX-UHFFFAOYSA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

N-(4-fluorophenyl)-1-[3-(1-methylcyclopropyl)propanoyl]-3-piperidinamine
CID 24818997
Ethyl 1-(3-((4-fluorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740130
[4-(2-Fluorophenyl)piperazin-1-yl][1-(2-methylpropyl)piperidin-4-yl]methanone
CID 883940
1-(4-fluorophenyl)-4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-3-piperidinyl]piperazine
CID 24791738
N-(4-fluorophenyl)-1-[3-(1,2-oxazinan-2-yl)propanoyl]-3-piperidinamine
CID 24794097
1-(4-{3-[(3,4-Difluorophenyl)amino]-1-piperidinyl}-4-oxobutyl)-2-piperidinone
CID 24817157
N-(3,4-difluorophenyl)-1-[3-(1,2-oxazinan-2-yl)propanoyl]-3-piperidinamine
CID 24790541
1-(4-{3-[(4-Fluorophenyl)amino]-1-piperidinyl}-4-oxobutyl)-2-piperidinone
CID 24816936
3-[2-(4-Fluoroanilino)ethyl]-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
CID 164883900
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-2,2-dimethylpropanamide
CID 44273877
Methyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]piperidine-4-carboxylate
CID 15518523
N1-(3-fluorophenyl)-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide
CID 16886694

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone (CID 120639402) is [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone is COCC1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CCNCC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The InChIKey is XCGKUGYLVLNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-24-14-18(6-8-20-9-7-18)17(23)22-12-10-21(11-13-22)16-4-2-15(19)3-5-16/h2-5,20H,6-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone has a molecular weight of 335.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120639402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).