[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone

C20H30FN3O2 — CID 118775958

IUPAC[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESNCCCOc1ccc(F)cc1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H30FN3O2/c21-16-7-8-19(26-14-4-9-22)18(15-16)20(25)24-12-10-23(11-13-24)17-5-2-1-3-6-17/h7-8,15,17H,1-6,9-14,22H2
InChIKeyYMIRIRHJYWCWGL-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.64
Rot. Bonds6

About [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone

[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 118775958) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID118775958
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESNCCCOc1ccc(F)cc1C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H30FN3O2/c21-16-7-8-19(26-14-4-9-22)18(15-16)20(25)24-12-10-23(11-13-24)17-5-2-1-3-6-17/h7-8,15,17H,1-6,9-14,22H2
InChIKeyYMIRIRHJYWCWGL-UHFFFAOYSA-N
XLogP2.64
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

acetic acid;[2-(2-aminoethoxy)-5-fluorophenyl]-(4-cyclohexyl-1,4-diazepan-1-yl)methanone
CID 154905887
[2-(2-aminoethoxy)-5-fluorophenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166174937
(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 125163469
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 126449120
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 126423261
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 126444823
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 118785190
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 118775958) is [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone is NCCCOc1ccc(F)cc1C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is YMIRIRHJYWCWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c21-16-7-8-19(26-14-4-9-22)18(15-16)20(25)24-12-10-23(11-13-24)17-5-2-1-3-6-17/h7-8,15,17H,1-6,9-14,22H2.
What are the key properties of [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone?
[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 363.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 118775958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).