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

C14H20F2N2 — CID 118938556

IUPAC1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(F)(F)CN2CCC(N)CC2)cc1
InChIInChI=1S/C14H20F2N2/c1-11-2-4-12(5-3-11)14(15,16)10-18-8-6-13(17)7-9-18/h2-5,13H,6-10,17H2,1H3
InChIKeyOIQOBGJMQXJNFZ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.51
Rot. Bonds3

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

1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine (PubChem CID 118938556) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine
PubChem CID118938556
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(F)(F)CN2CCC(N)CC2)cc1
InChIInChI=1S/C14H20F2N2/c1-11-2-4-12(5-3-11)14(15,16)10-18-8-6-13(17)7-9-18/h2-5,13H,6-10,17H2,1H3
InChIKeyOIQOBGJMQXJNFZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine (CID 118938556) is 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine is Cc1ccc(C(F)(F)CN2CCC(N)CC2)cc1.
What is the InChIKey of 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine?
The InChIKey is OIQOBGJMQXJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11-2-4-12(5-3-11)14(15,16)10-18-8-6-13(17)7-9-18/h2-5,13H,6-10,17H2,1H3.
What are the key properties of 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine?
1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 118938556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).