N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine

C15H24F2N4 — CID 167015390

IUPACN'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine
SMILESCCNCCNC1CCN(c2c(F)cc(N)cc2F)CC1
InChIInChI=1S/C15H24F2N4/c1-2-19-5-6-20-12-3-7-21(8-4-12)15-13(16)9-11(18)10-14(15)17/h9-10,12,19-20H,2-8,18H2,1H3
InChIKeyRFOKASFQAJCSDX-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.71
Rot. Bonds6

About N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine

N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine (PubChem CID 167015390) has the molecular formula C15H24F2N4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine
PubChem CID167015390
Molecular FormulaC15H24F2N4
Molecular Weight298.38 g/mol
Exact Mass298.20
IUPAC NameN'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine
SMILESCCNCCNC1CCN(c2c(F)cc(N)cc2F)CC1
InChIInChI=1S/C15H24F2N4/c1-2-19-5-6-20-12-3-7-21(8-4-12)15-13(16)9-11(18)10-14(15)17/h9-10,12,19-20H,2-8,18H2,1H3
InChIKeyRFOKASFQAJCSDX-UHFFFAOYSA-N
XLogP1.71
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
CID 107644995
N'-cyclopentyl-N-ethylethane-1,2-diamine
CID 61150069
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
CID 104605818
N-[(4-amino-2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 70652812
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
[(3R)-1-(4-amino-2,6-difluorophenyl)pyrrolidin-3-yl]methyl acetate
CID 175880053
[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol
CID 63052099
N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine
CID 142251322
4-[2-(ethylamino)ethylamino]cyclohexan-1-ol
CID 90837850

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine (CID 167015390) is N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine is CCNCCNC1CCN(c2c(F)cc(N)cc2F)CC1.
What is the InChIKey of N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine?
The InChIKey is RFOKASFQAJCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4/c1-2-19-5-6-20-12-3-7-21(8-4-12)15-13(16)9-11(18)10-14(15)17/h9-10,12,19-20H,2-8,18H2,1H3.
What are the key properties of N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine?
N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine has a molecular weight of 298.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-amino-2,6-difluorophenyl)piperidin-4-yl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 167015390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).