1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen

C10H22F2N2 — CID 178010321

IUPAC1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
SMILESCCCNC1CCN(CC(F)F)CC1.[H][H]
InChIInChI=1S/C10H20F2N2.H2/c1-2-5-13-9-3-6-14(7-4-9)8-10(11)12;/h9-10,13H,2-8H2,1H3;1H
InChIKeyAKMJCXMGNJKTRK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.96
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen

1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen (PubChem CID 178010321) has the molecular formula C10H22F2N2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
PubChem CID178010321
Molecular FormulaC10H22F2N2
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
SMILESCCCNC1CCN(CC(F)F)CC1.[H][H]
InChIInChI=1S/C10H20F2N2.H2/c1-2-5-13-9-3-6-14(7-4-9)8-10(11)12;/h9-10,13H,2-8H2,1H3;1H
InChIKeyAKMJCXMGNJKTRK-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen (CID 178010321) is 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen is CCCNC1CCN(CC(F)F)CC1.[H][H].
What is the InChIKey of 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen?
The InChIKey is AKMJCXMGNJKTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2.H2/c1-2-5-13-9-3-6-14(7-4-9)8-10(11)12;/h9-10,13H,2-8H2,1H3;1H.
What are the key properties of 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen?
1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen has a molecular weight of 208.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 178010321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).