N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine

C14H18F4N2 — CID 107646128

IUPACN-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine
SMILESCCCNC1CCCN(c2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C14H18F4N2/c1-2-5-19-9-4-3-6-20(8-9)14-12(17)10(15)7-11(16)13(14)18/h7,9,19H,2-6,8H2,1H3
InChIKeyBALKXYQVIRPEGR-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.21
Rot. Bonds4

About N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine

N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine (PubChem CID 107646128) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine
PubChem CID107646128
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC NameN-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine
SMILESCCCNC1CCCN(c2c(F)c(F)cc(F)c2F)C1
InChIInChI=1S/C14H18F4N2/c1-2-5-19-9-4-3-6-20(8-9)14-12(17)10(15)7-11(16)13(14)18/h7,9,19H,2-6,8H2,1H3
InChIKeyBALKXYQVIRPEGR-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine
CID 115564610
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
CID 107644995
1-(5-methyl-3-pyridinyl)-N-propylpiperidin-3-amine
CID 107586869
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
CID 107644985
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N-propylpiperidin-3-amine
CID 104729270
1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine
CID 107603732

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine?
The IUPAC name of N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine (CID 107646128) is N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine?
The canonical SMILES for N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine is CCCNC1CCCN(c2c(F)c(F)cc(F)c2F)C1.
What is the InChIKey of N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine?
The InChIKey is BALKXYQVIRPEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-2-5-19-9-4-3-6-20(8-9)14-12(17)10(15)7-11(16)13(14)18/h7,9,19H,2-6,8H2,1H3.
What are the key properties of N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine?
N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine has a molecular weight of 290.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine is sourced from PubChem (CID 107646128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).