1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one

C32H30N2O — CID 10456867

IUPAC1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C32H30N2O/c35-31(23-30(24-11-3-1-4-12-24)25-13-5-2-6-14-25)33-19-21-34(22-20-33)32-28-17-9-7-15-26(28)27-16-8-10-18-29(27)32/h1-18,30,32H,19-23H2
InChIKeySGOBOOGKVDCWAY-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.12
Rot. Bonds5

About 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 10456867) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID10456867
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC Name1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C32H30N2O/c35-31(23-30(24-11-3-1-4-12-24)25-13-5-2-6-14-25)33-19-21-34(22-20-33)32-28-17-9-7-15-26(28)27-16-8-10-18-29(27)32/h1-18,30,32H,19-23H2
InChIKeySGOBOOGKVDCWAY-UHFFFAOYSA-N
XLogP6.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 10456867) is 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is SGOBOOGKVDCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c35-31(23-30(24-11-3-1-4-12-24)25-13-5-2-6-14-25)33-19-21-34(22-20-33)32-28-17-9-7-15-26(28)27-16-8-10-18-29(27)32/h1-18,30,32H,19-23H2.
What are the key properties of 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 458.61 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 10456867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).