2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine

C14H22F4N4 — CID 159941610

IUPAC2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine
SMILESNCC(F)(F)C1CCCCN1.NCC(F)(F)c1ccccn1
InChIInChI=1S/C7H14F2N2.C7H8F2N2/c2*8-7(9,5-10)6-3-1-2-4-11-6/h6,11H,1-5,10H2;1-4H,5,10H2
InChIKeyOAYLGMGQDHOPBK-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.85
Rot. Bonds4

About 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine

2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine (PubChem CID 159941610) has the molecular formula C14H22F4N4 and a molecular weight of 322.35 g/mol. Its IUPAC name is 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine
PubChem CID159941610
Molecular FormulaC14H22F4N4
Molecular Weight322.35 g/mol
Exact Mass322.18
IUPAC Name2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine
SMILESNCC(F)(F)C1CCCCN1.NCC(F)(F)c1ccccn1
InChIInChI=1S/C7H14F2N2.C7H8F2N2/c2*8-7(9,5-10)6-3-1-2-4-11-6/h6,11H,1-5,10H2;1-4H,5,10H2
InChIKeyOAYLGMGQDHOPBK-UHFFFAOYSA-N
XLogP1.85
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine?
The IUPAC name of 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine (CID 159941610) is 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine?
The canonical SMILES for 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine is NCC(F)(F)C1CCCCN1.NCC(F)(F)c1ccccn1.
What is the InChIKey of 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine?
The InChIKey is OAYLGMGQDHOPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2.C7H8F2N2/c2*8-7(9,5-10)6-3-1-2-4-11-6/h6,11H,1-5,10H2;1-4H,5,10H2.
What are the key properties of 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine?
2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine has a molecular weight of 322.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-piperidin-2-ylethanamine;2,2-difluoro-2-pyridin-2-ylethanamine is sourced from PubChem (CID 159941610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).