2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one

C19H26N2O — CID 20145

IUPAC2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1C(N1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C19H26N2O/c22-19-15-5-4-8-17(19)18(10-9-15)21-13-11-20(12-14-21)16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyUWHFQUNBQINORU-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one

2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one (PubChem CID 20145) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
PubChem CID20145
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1C(N1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C19H26N2O/c22-19-15-5-4-8-17(19)18(10-9-15)21-13-11-20(12-14-21)16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyUWHFQUNBQINORU-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-en-1-one
CID 137646233
Bicyclo(3.2.1)octan-8-one, 2-(4-phenyl-1-piperazinyl)-
CID 20146
Bicyclo(3.3.1)nonan-9-one, 2-(4-(p-fluorophenyl)-1-piperazinyl)-, monohydrochloride
CID 37471
7-(4-Phenyl-1-piperazinyl)bicyclo(4.3.1)decan-10-one
CID 199440
Bicyclo(3.3.1)nonan-9-one, 2-phenyl-4-(4-phenyl-1-piperazinyl)-
CID 199441
3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one
CID 199442
Bicyclo(3.3.1)nonan-9-one, 2-(4-(3-chlorophenyl)-1-piperazinyl)-
CID 204443
Bicyclo(3.3.1)nonan-9-one, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydrochloride
CID 204444
1,3-Diphenyl-3-(4-phenyl-1-piperazinyl)-1-propanone
CID 206358
Bicyclo(3.3.1)nonan-9-one, 1-phenyl-4-(4-phenyl-1-piperazinyl)-, monohydrochloride
CID 215857
5,9-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-8-(4-phenyl-1-piperazinyl)-, (5-alpha,8-beta,9-alpha)-
CID 215869
5,9-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-8-(4-phenyl-1-piperazinyl)-, (5-alpha,8-alpha,9-alpha)-
CID 215876

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one (CID 20145) is 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one is O=C1C2CCCC1C(N1CCN(c3ccccc3)CC1)CC2.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one?
The InChIKey is UWHFQUNBQINORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19-15-5-4-8-17(19)18(10-9-15)21-13-11-20(12-14-21)16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one?
2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one has a molecular weight of 298.43 g/mol, XLogP of 2.96, 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[3.3.1]nonan-9-one is sourced from PubChem (CID 20145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).