N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine

C15H21FN2 — CID 84753903

IUPACN-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1N1CCCCC1
InChIInChI=1S/C15H21FN2/c16-14-7-4-12(11-17-13-5-6-13)10-15(14)18-8-2-1-3-9-18/h4,7,10,13,17H,1-3,5-6,8-9,11H2
InChIKeyOUASBVYPJIIEMA-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.07
Rot. Bonds4

About N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine

N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 84753903) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
PubChem CID84753903
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1N1CCCCC1
InChIInChI=1S/C15H21FN2/c16-14-7-4-12(11-17-13-5-6-13)10-15(14)18-8-2-1-3-9-18/h4,7,10,13,17H,1-3,5-6,8-9,11H2
InChIKeyOUASBVYPJIIEMA-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidine-4-carboxylic acid
CID 84753304
N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
CID 84753916
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
CID 84753547
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]butan-2-amine
CID 84753227
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
CID 84753885
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]-3-ethoxypropan-1-amine
CID 84753248
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]azepan-2-yl]methanol
CID 116635505
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 43281201

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine (CID 84753903) is N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine is Fc1ccc(CNC2CC2)cc1N1CCCCC1.
What is the InChIKey of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is OUASBVYPJIIEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-14-7-4-12(11-17-13-5-6-13)10-15(14)18-8-2-1-3-9-18/h4,7,10,13,17H,1-3,5-6,8-9,11H2.
What are the key properties of N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine?
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 248.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 84753903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).