2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one

C18H24N2O — CID 20146

IUPAC2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one
SMILESO=C1C2CCC1C(N1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C18H24N2O/c21-18-14-6-8-16(18)17(9-7-14)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-5,14,16-17H,6-13H2
InChIKeyVCRHNSZKKNPZIZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.57
Rot. Bonds2

About 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one

2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one (PubChem CID 20146) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one
PubChem CID20146
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one
SMILESO=C1C2CCC1C(N1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C18H24N2O/c21-18-14-6-8-16(18)17(9-7-14)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-5,14,16-17H,6-13H2
InChIKeyVCRHNSZKKNPZIZ-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one (CID 20146) is 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one is O=C1C2CCC1C(N1CCN(c3ccccc3)CC1)CC2.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one?
The InChIKey is VCRHNSZKKNPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18-14-6-8-16(18)17(9-7-14)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-5,14,16-17H,6-13H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one?
2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one has a molecular weight of 284.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 20146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).