N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine

C16H24FN3 — CID 84753916

IUPACN-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
SMILESFc1ccc(CNC2CCCC2)cc1N1CCNCC1
InChIInChI=1S/C16H24FN3/c17-15-6-5-13(12-19-14-3-1-2-4-14)11-16(15)20-9-7-18-8-10-20/h5-6,11,14,18-19H,1-4,7-10,12H2
InChIKeyZWCPKZCYSRBZLF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.27
Rot. Bonds4

About N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine

N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine (PubChem CID 84753916) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
PubChem CID84753916
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
SMILESFc1ccc(CNC2CCCC2)cc1N1CCNCC1
InChIInChI=1S/C16H24FN3/c17-15-6-5-13(12-19-14-3-1-2-4-14)11-16(15)20-9-7-18-8-10-20/h5-6,11,14,18-19H,1-4,7-10,12H2
InChIKeyZWCPKZCYSRBZLF-UHFFFAOYSA-N
XLogP2.27
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
CID 84753547
1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid
CID 84753304
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
CID 84753153
1-[2-fluoro-5-(isocyanomethyl)phenyl]piperazine
CID 20785284
N-[[4-(1,4-diazepan-1-yl)-3-propan-2-yloxyphenyl]methyl]cyclopropanamine
CID 84750655
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidin-2-yl]methanol
CID 61407782
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]azepan-2-yl]methanol
CID 116635505
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine (CID 84753916) is N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine is Fc1ccc(CNC2CCCC2)cc1N1CCNCC1.
What is the InChIKey of N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine?
The InChIKey is ZWCPKZCYSRBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c17-15-6-5-13(12-19-14-3-1-2-4-14)11-16(15)20-9-7-18-8-10-20/h5-6,11,14,18-19H,1-4,7-10,12H2.
What are the key properties of N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine?
N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine has a molecular weight of 277.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 84753916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).