1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine

C13H20FN3 — CID 117027556

IUPAC1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
SMILESNCCN1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C13H20FN3/c14-11-2-1-3-13(10-11)16-12-4-7-17(8-5-12)9-6-15/h1-3,10,12,16H,4-9,15H2
InChIKeyVBGNOXDYYJYLRU-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine

1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine (PubChem CID 117027556) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
PubChem CID117027556
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
SMILESNCCN1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C13H20FN3/c14-11-2-1-3-13(10-11)16-12-4-7-17(8-5-12)9-6-15/h1-3,10,12,16H,4-9,15H2
InChIKeyVBGNOXDYYJYLRU-UHFFFAOYSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43762199
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine
CID 117027561
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine
CID 143593858
2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431
N-[3-(aminomethyl)phenyl]-1-ethylpiperidin-4-amine
CID 174624334
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
CID 43252639
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
CID 117027563
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine (CID 117027556) is 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine is NCCN1CCC(Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine?
The InChIKey is VBGNOXDYYJYLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c14-11-2-1-3-13(10-11)16-12-4-7-17(8-5-12)9-6-15/h1-3,10,12,16H,4-9,15H2.
What are the key properties of 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine?
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 117027556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).