N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine

C14H20F2N2 — CID 83007667

IUPACN-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine
SMILESCc1cc(F)c(C(C)NN2CCCCC2)cc1F
InChIInChI=1S/C14H20F2N2/c1-10-8-14(16)12(9-13(10)15)11(2)17-18-6-4-3-5-7-18/h8-9,11,17H,3-7H2,1-2H3
InChIKeyJDPOHDQJSVBYGI-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine

N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine (PubChem CID 83007667) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine
PubChem CID83007667
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine
SMILESCc1cc(F)c(C(C)NN2CCCCC2)cc1F
InChIInChI=1S/C14H20F2N2/c1-10-8-14(16)12(9-13(10)15)11(2)17-18-6-4-3-5-7-18/h8-9,11,17H,3-7H2,1-2H3
InChIKeyJDPOHDQJSVBYGI-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine?
The IUPAC name of N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine (CID 83007667) is N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine.
What is the SMILES notation for N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine?
The canonical SMILES for N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine is Cc1cc(F)c(C(C)NN2CCCCC2)cc1F.
What is the InChIKey of N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine?
The InChIKey is JDPOHDQJSVBYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-8-14(16)12(9-13(10)15)11(2)17-18-6-4-3-5-7-18/h8-9,11,17H,3-7H2,1-2H3.
What are the key properties of N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine?
N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine has a molecular weight of 254.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluoro-4-methylphenyl)ethyl]piperidin-1-amine is sourced from PubChem (CID 83007667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).