1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol

C20H20F6N2O — CID 86724904

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(NC3CCNCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H20F6N2O/c21-19(22,23)18(29,20(24,25)26)15-5-1-13(2-6-15)14-3-7-16(8-4-14)28-17-9-11-27-12-10-17/h1-8,17,27-29H,9-12H2
InChIKeyDVUCARZAHYCSPV-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.83
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol (PubChem CID 86724904) has the molecular formula C20H20F6N2O and a molecular weight of 418.38 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol
PubChem CID86724904
Molecular FormulaC20H20F6N2O
Molecular Weight418.38 g/mol
Exact Mass418.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(NC3CCNCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H20F6N2O/c21-19(22,23)18(29,20(24,25)26)15-5-1-13(2-6-15)14-3-7-16(8-4-14)28-17-9-11-27-12-10-17/h1-8,17,27-29H,9-12H2
InChIKeyDVUCARZAHYCSPV-UHFFFAOYSA-N
XLogP4.83
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol (CID 86724904) is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol is OC(c1ccc(-c2ccc(NC3CCNCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol?
The InChIKey is DVUCARZAHYCSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F6N2O/c21-19(22,23)18(29,20(24,25)26)15-5-1-13(2-6-15)14-3-7-16(8-4-14)28-17-9-11-27-12-10-17/h1-8,17,27-29H,9-12H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol has a molecular weight of 418.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 86724904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).